3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine

C14H20ClN — CID 115676904

IUPAC3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine
SMILESCC(NCCCc1ccccc1Cl)C1CC1
InChIInChI=1S/C14H20ClN/c1-11(12-8-9-12)16-10-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,11-12,16H,4,6,8-10H2,1H3
InChIKeyGQVXSDMRBZTESL-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.66
Rot. Bonds6

About 3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine

3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine (PubChem CID 115676904) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine
PubChem CID115676904
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine
SMILESCC(NCCCc1ccccc1Cl)C1CC1
InChIInChI=1S/C14H20ClN/c1-11(12-8-9-12)16-10-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,11-12,16H,4,6,8-10H2,1H3
InChIKeyGQVXSDMRBZTESL-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 95168121
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
1-cyclopropyl-N-(2-phenylethyl)ethanamine
CID 43178582
3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 54480749
1-cyclopropyl-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]ethanamine
CID 55090114
1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine
CID 115677001
N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 43192316
3-(2-chlorophenyl)-1-cyclopropylpropan-1-ol
CID 63358080
N-(1-cyclopentylethyl)-3-thiophen-2-ylpropan-1-amine
CID 115897402
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine
CID 97341089
2-[3-(2-chlorophenyl)propylamino]ethanol
CID 70464320
azane;1-butyl-2-chlorobenzene
CID 19011342

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine (CID 115676904) is 3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine is CC(NCCCc1ccccc1Cl)C1CC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine?
The InChIKey is GQVXSDMRBZTESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11(12-8-9-12)16-10-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,11-12,16H,4,6,8-10H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine?
3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine has a molecular weight of 237.77 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(1-cyclopropylethyl)propan-1-amine is sourced from PubChem (CID 115676904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).