1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine

C16H24N2 — CID 81364151

IUPAC1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCc1cccc([C@H](C)NC2CCN(C3CC3)C2)c1
InChIInChI=1S/C16H24N2/c1-12-4-3-5-14(10-12)13(2)17-15-8-9-18(11-15)16-6-7-16/h3-5,10,13,15-17H,6-9,11H2,1-2H3/t13-,15?/m0/s1
InChIKeyLZJRBQVWAVGWFP-CFMCSPIPSA-N
MW244.38 g/mol
LogP2.88
Rot. Bonds4

About 1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine

1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 81364151) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
PubChem CID81364151
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCc1cccc([C@H](C)NC2CCN(C3CC3)C2)c1
InChIInChI=1S/C16H24N2/c1-12-4-3-5-14(10-12)13(2)17-15-8-9-18(11-15)16-6-7-16/h3-5,10,13,15-17H,6-9,11H2,1-2H3/t13-,15?/m0/s1
InChIKeyLZJRBQVWAVGWFP-CFMCSPIPSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 81350444
1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine
CID 81369214
N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81364403
1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 55152081
1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81467257
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine
CID 81379064
N-[(1S)-1-(3-methylphenyl)ethyl]-1-oxothian-4-amine
CID 81364522
N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364745
tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate
CID 103781191
3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81360857
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81360507

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine (CID 81364151) is 1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine is Cc1cccc([C@H](C)NC2CCN(C3CC3)C2)c1.
What is the InChIKey of 1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is LZJRBQVWAVGWFP-CFMCSPIPSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-4-3-5-14(10-12)13(2)17-15-8-9-18(11-15)16-6-7-16/h3-5,10,13,15-17H,6-9,11H2,1-2H3/t13-,15?/m0/s1.
What are the key properties of 1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine?
1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 244.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 81364151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).