3-(2-phenylcyclopropyl)butan-1-amine

C13H19N — CID 116518610

IUPAC3-(2-phenylcyclopropyl)butan-1-amine
SMILESCC(CCN)C1CC1c1ccccc1
InChIInChI=1S/C13H19N/c1-10(7-8-14)12-9-13(12)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,14H2,1H3
InChIKeyFPWDODVPIZPMTL-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.78
Rot. Bonds4

About 3-(2-phenylcyclopropyl)butan-1-amine

3-(2-phenylcyclopropyl)butan-1-amine (PubChem CID 116518610) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-(2-phenylcyclopropyl)butan-1-amine.

Molecular Properties

Compound Name3-(2-phenylcyclopropyl)butan-1-amine
PubChem CID116518610
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-(2-phenylcyclopropyl)butan-1-amine
SMILESCC(CCN)C1CC1c1ccccc1
InChIInChI=1S/C13H19N/c1-10(7-8-14)12-9-13(12)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,14H2,1H3
InChIKeyFPWDODVPIZPMTL-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
[2-(4-chloropentan-2-yl)cyclopropyl]benzene
CID 116518369
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517331
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine
CID 115845595
[2-methyl-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105219816
2-(2-phenylcycloheptyl)propan-1-amine
CID 82242886
[2,3-dimethyl-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105341543
4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 103031750
N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517759

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylcyclopropyl)butan-1-amine?
The IUPAC name of 3-(2-phenylcyclopropyl)butan-1-amine (CID 116518610) is 3-(2-phenylcyclopropyl)butan-1-amine.
What is the SMILES notation for 3-(2-phenylcyclopropyl)butan-1-amine?
The canonical SMILES for 3-(2-phenylcyclopropyl)butan-1-amine is CC(CCN)C1CC1c1ccccc1.
What is the InChIKey of 3-(2-phenylcyclopropyl)butan-1-amine?
The InChIKey is FPWDODVPIZPMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(7-8-14)12-9-13(12)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,14H2,1H3.
What are the key properties of 3-(2-phenylcyclopropyl)butan-1-amine?
3-(2-phenylcyclopropyl)butan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylcyclopropyl)butan-1-amine is sourced from PubChem (CID 116518610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).