1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine

C16H24N2 — CID 103975660

IUPAC1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccc(C3CC3)cc2)C1
InChIInChI=1S/C16H24N2/c1-12(17)16-8-9-18(11-16)10-13-2-4-14(5-3-13)15-6-7-15/h2-5,12,15-16H,6-11,17H2,1H3
InChIKeyIQNVACIDSCWLIN-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.73
Rot. Bonds4

About 1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine

1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine (PubChem CID 103975660) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine
PubChem CID103975660
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccc(C3CC3)cc2)C1
InChIInChI=1S/C16H24N2/c1-12(17)16-8-9-18(11-16)10-13-2-4-14(5-3-13)15-6-7-15/h2-5,12,15-16H,6-11,17H2,1H3
InChIKeyIQNVACIDSCWLIN-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 112630040
4-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]benzamide
CID 112630317
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630186
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 113360661
1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630094
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925517
1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843387
1-[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 120843364
1-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975652

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine (CID 103975660) is 1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(Cc2ccc(C3CC3)cc2)C1.
What is the InChIKey of 1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is IQNVACIDSCWLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(17)16-8-9-18(11-16)10-13-2-4-14(5-3-13)15-6-7-15/h2-5,12,15-16H,6-11,17H2,1H3.
What are the key properties of 1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 244.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).