[(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride

C19H31ClN2O — CID 120769375

IUPAC[(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCC1CC(CN2C[C@@H](CN)[C@H](c3ccccc3)C2)CCO1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-2-18-10-15(8-9-22-18)12-21-13-17(11-20)19(14-21)16-6-4-3-5-7-16;/h3-7,15,17-19H,2,8-14,20H2,1H3;1H/t15?,17-,18?,19+;/m1./s1
InChIKeyBDCJDPLBGCXRFC-SWYNZHSOSA-N
MW338.92 g/mol
LogP3.29
Rot. Bonds5

About [(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride

[(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120769375) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is [(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120769375
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC Name[(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCC1CC(CN2C[C@@H](CN)[C@H](c3ccccc3)C2)CCO1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-2-18-10-15(8-9-22-18)12-21-13-17(11-20)19(14-21)16-6-4-3-5-7-16;/h3-7,15,17-19H,2,8-14,20H2,1H3;1H/t15?,17-,18?,19+;/m1./s1
InChIKeyBDCJDPLBGCXRFC-SWYNZHSOSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759708
[(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846682
[(3R,4R)-1-[(4-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120760026
[(3R,4R)-4-phenyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120758596
[(3R,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759213
[(3R,4R)-1-[(2-ethylpyrazol-3-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769405
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide;hydrochloride
CID 120760082
[(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 120759911
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120743012
[(3R,4R)-1-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769765
[(3R,4R)-4-phenyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120758554
[(3R,4R)-1-[(4-iodophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759007

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120769375) is [(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride is CCC1CC(CN2C[C@@H](CN)[C@H](c3ccccc3)C2)CCO1.Cl.
What is the InChIKey of [(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is BDCJDPLBGCXRFC-SWYNZHSOSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-2-18-10-15(8-9-22-18)12-21-13-17(11-20)19(14-21)16-6-4-3-5-7-16;/h3-7,15,17-19H,2,8-14,20H2,1H3;1H/t15?,17-,18?,19+;/m1./s1.
What are the key properties of [(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride?
[(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120769375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).