1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine

C16H24N2 — CID 117363303

IUPAC1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(CN3CCCC3)c2)CC1
InChIInChI=1S/C16H24N2/c1-13(17)16(7-8-16)15-6-4-5-14(11-15)12-18-9-2-3-10-18/h4-6,11,13H,2-3,7-10,12,17H2,1H3
InChIKeyCMPVETREOMJGKP-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.66
Rot. Bonds4

About 1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine

1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine (PubChem CID 117363303) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine
PubChem CID117363303
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(CN3CCCC3)c2)CC1
InChIInChI=1S/C16H24N2/c1-13(17)16(7-8-16)15-6-4-5-14(11-15)12-18-9-2-3-10-18/h4-6,11,13H,2-3,7-10,12,17H2,1H3
InChIKeyCMPVETREOMJGKP-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 84793946
1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117293808
1-[1-[3-(2-fluoro-2-methylpropyl)phenyl]cyclopropyl]ethanamine
CID 117343526
1-[[3-(2-methylpyrrolidin-2-yl)phenyl]methyl]piperidine
CID 117400052
1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117301569
[3-(piperidin-1-ylmethyl)phenyl]methanethiol
CID 57304905
3-(azepan-1-ylmethyl)aniline
CID 6484183
2-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
CID 117313419
2-[3-(piperidin-1-ylmethyl)phenyl]propan-1-ol
CID 117339044
(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 143915546
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
3-(pyrrolidin-1-ylmethyl)benzenethiol
CID 46785609

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine (CID 117363303) is 1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine is CC(N)C1(c2cccc(CN3CCCC3)c2)CC1.
What is the InChIKey of 1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine?
The InChIKey is CMPVETREOMJGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13(17)16(7-8-16)15-6-4-5-14(11-15)12-18-9-2-3-10-18/h4-6,11,13H,2-3,7-10,12,17H2,1H3.
What are the key properties of 1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine?
1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine has a molecular weight of 244.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117363303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).