1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol

C17H28N2O — CID 166260157

IUPAC1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1C[C@@H](CN)[C@H](c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-13(2)17(3,20)12-19-10-15(9-18)16(11-19)14-7-5-4-6-8-14/h4-8,13,15-16,20H,9-12,18H2,1-3H3/t15-,16+,17?/m1/s1
InChIKeyJRIBSDCQVLYQBQ-GARXDOFDSA-N
MW276.42 g/mol
LogP2.07
Rot. Bonds5

About 1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol

1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol (PubChem CID 166260157) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol
PubChem CID166260157
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1C[C@@H](CN)[C@H](c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-13(2)17(3,20)12-19-10-15(9-18)16(11-19)14-7-5-4-6-8-14/h4-8,13,15-16,20H,9-12,18H2,1-3H3/t15-,16+,17?/m1/s1
InChIKeyJRIBSDCQVLYQBQ-GARXDOFDSA-N
XLogP2.07
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 120759230
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-methylpropan-2-ol
CID 120761553
[(3R,4R)-4-phenyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120758596
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 120759119
[(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 120759911
(3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769959
[(3R,4R)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759708
[(3R,4R)-1-[2-(4-methoxyphenyl)propyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769573
tert-butyl (3R,4S)-3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate
CID 98008226
[(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120758912
1-(4-acetylpiperazin-1-yl)-2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethanone
CID 120759232
2-[[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetyl]amino]-N,N-dimethylpropanamide;hydrochloride
CID 120759143

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol (CID 166260157) is 1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CN1C[C@@H](CN)[C@H](c2ccccc2)C1.
What is the InChIKey of 1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol?
The InChIKey is JRIBSDCQVLYQBQ-GARXDOFDSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)17(3,20)12-19-10-15(9-18)16(11-19)14-7-5-4-6-8-14/h4-8,13,15-16,20H,9-12,18H2,1-3H3/t15-,16+,17?/m1/s1.
What are the key properties of 1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol?
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 166260157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).