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

C17H27ClN2O — CID 120846682

IUPAC[(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1CN(CCC2CCOC2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H26N2O.ClH/c18-10-16-11-19(8-6-14-7-9-20-13-14)12-17(16)15-4-2-1-3-5-15;/h1-5,14,16-17H,6-13,18H2;1H/t14?,16-,17+;/m1./s1
InChIKeyMCQZGOOFLUWEKX-HKTRALOESA-N
MW310.87 g/mol
LogP2.51
Rot. Bonds5

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

[(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120846682) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is [(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120846682
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name[(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1CN(CCC2CCOC2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H26N2O.ClH/c18-10-16-11-19(8-6-14-7-9-20-13-14)12-17(16)15-4-2-1-3-5-15;/h1-5,14,16-17H,6-13,18H2;1H/t14?,16-,17+;/m1./s1
InChIKeyMCQZGOOFLUWEKX-HKTRALOESA-N
XLogP2.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.51
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
(4-phenyloxan-3-yl)methanamine
CID 84772062
[(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 120759911
[(3R,4R)-1-[(2-ethyloxan-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769375
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120743012
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-(oxolan-3-yl)propan-1-one;hydrochloride
CID 120748333
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 120760183
[(3R,4R)-4-phenyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120758596
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone;hydrochloride
CID 120742248
[(3R,4R)-4-phenyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967267
[(3R,4R)-4-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120759105
[(3R,4R)-1-[(4-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120760026

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120846682) is [(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride is Cl.NC[C@@H]1CN(CCC2CCOC2)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is MCQZGOOFLUWEKX-HKTRALOESA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c18-10-16-11-19(8-6-14-7-9-20-13-14)12-17(16)15-4-2-1-3-5-15;/h1-5,14,16-17H,6-13,18H2;1H/t14?,16-,17+;/m1./s1.
What are the key properties of [(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride?
[(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.51, 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-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120846682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).