5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride

C20H29ClN4 — CID 120846718

IUPAC5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
SMILESCCN(C)c1ccc(CN2C[C@@H](CN)[C@H](c3ccccc3)C2)cn1.Cl
InChIInChI=1S/C20H28N4.ClH/c1-3-23(2)20-10-9-16(12-22-20)13-24-14-18(11-21)19(15-24)17-7-5-4-6-8-17;/h4-10,12,18-19H,3,11,13-15,21H2,1-2H3;1H/t18-,19+;/m1./s1
InChIKeyOHIGDJJPEORDGV-VOMIJIAVSA-N
MW360.93 g/mol
LogP3.13
Rot. Bonds6

About 5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride

5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride (PubChem CID 120846718) has the molecular formula C20H29ClN4 and a molecular weight of 360.93 g/mol. Its IUPAC name is 5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
PubChem CID120846718
Molecular FormulaC20H29ClN4
Molecular Weight360.93 g/mol
Exact Mass360.21
IUPAC Name5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
SMILESCCN(C)c1ccc(CN2C[C@@H](CN)[C@H](c3ccccc3)C2)cn1.Cl
InChIInChI=1S/C20H28N4.ClH/c1-3-23(2)20-10-9-16(12-22-20)13-24-14-18(11-21)19(15-24)17-7-5-4-6-8-17;/h4-10,12,18-19H,3,11,13-15,21H2,1-2H3;1H/t18-,19+;/m1./s1
InChIKeyOHIGDJJPEORDGV-VOMIJIAVSA-N
XLogP3.13
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride with MolForge

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Related Compounds

5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120837821
[(3R,4R)-1-[(4-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120760026
[(3R,4R)-1-[(4-iodophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759007
5-[(3,5-dimethylpiperazin-1-yl)methyl]-N-ethyl-N-methylpyridin-2-amine
CID 120840096
[(3R,4R)-1-[(3-methylimidazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769175
[(3R,4R)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769339
[(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769359
[(3R,4R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120758945
[(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine
CID 120759943
ethyl 2-[4-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]phenoxy]acetate
CID 120769240
[(3R,4R)-1-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769803
[(3R,4R)-1-[[4-(difluoromethyl)phenyl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120846619

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
The IUPAC name of 5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride (CID 120846718) is 5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
The canonical SMILES for 5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride is CCN(C)c1ccc(CN2C[C@@H](CN)[C@H](c3ccccc3)C2)cn1.Cl.
What is the InChIKey of 5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
The InChIKey is OHIGDJJPEORDGV-VOMIJIAVSA-N. The full InChI is InChI=1S/C20H28N4.ClH/c1-3-23(2)20-10-9-16(12-22-20)13-24-14-18(11-21)19(15-24)17-7-5-4-6-8-17;/h4-10,12,18-19H,3,11,13-15,21H2,1-2H3;1H/t18-,19+;/m1./s1.
What are the key properties of 5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120846718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).