[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine

C13H20N2 — CID 2237132

IUPAC[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
SMILESC[C@@H](c1ccccc1)N1CC[C@H](CN)C1
InChIInChI=1S/C13H20N2/c1-11(13-5-3-2-4-6-13)15-8-7-12(9-14)10-15/h2-6,11-12H,7-10,14H2,1H3/t11-,12+/m0/s1
InChIKeyKNCVIVHOXNPVNM-NWDGAFQWSA-N
MW204.32 g/mol
LogP2.03
Rot. Bonds3

About [(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine

[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine (PubChem CID 2237132) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is [(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
PubChem CID2237132
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
SMILESC[C@@H](c1ccccc1)N1CC[C@H](CN)C1
InChIInChI=1S/C13H20N2/c1-11(13-5-3-2-4-6-13)15-8-7-12(9-14)10-15/h2-6,11-12H,7-10,14H2,1H3/t11-,12+/m0/s1
InChIKeyKNCVIVHOXNPVNM-NWDGAFQWSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918135
[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine
CID 93096967
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
[(3S)-1-[(1S)-1-(furan-2-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 98085589
2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid
CID 18396255
[1-[1-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 55029462
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
[1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915816
(2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 118427405
N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114083156
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 62062745

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine (CID 2237132) is [(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine is C[C@@H](c1ccccc1)N1CC[C@H](CN)C1.
What is the InChIKey of [(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is KNCVIVHOXNPVNM-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H20N2/c1-11(13-5-3-2-4-6-13)15-8-7-12(9-14)10-15/h2-6,11-12H,7-10,14H2,1H3/t11-,12+/m0/s1.
What are the key properties of [(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine?
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 204.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 2237132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).