3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine

C12H16ClN — CID 82077917

IUPAC3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine
SMILESNCC(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H16ClN/c13-12-5-1-9(2-6-12)7-11(8-14)10-3-4-10/h1-2,5-6,10-11H,3-4,7-8,14H2
InChIKeyIESCSYOWUCVOBN-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.87
Rot. Bonds4

About 3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine

3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine (PubChem CID 82077917) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine
PubChem CID82077917
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine
SMILESNCC(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H16ClN/c13-12-5-1-9(2-6-12)7-11(8-14)10-3-4-10/h1-2,5-6,10-11H,3-4,7-8,14H2
InChIKeyIESCSYOWUCVOBN-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-2-cyclopropylpropan-1-ol
CID 104819568
2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine
CID 82075851
3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine
CID 176776827
3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine
CID 112569630
2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine
CID 112569673
3-(4-chlorophenoxy)-2-(thian-4-yl)propan-1-amine
CID 117239379
3-cyclopropyl-4-(4-methoxyphenyl)butan-1-amine
CID 112507866
1-(2-bromo-3-cyclopropylbutyl)-4-chlorobenzene
CID 83151006
methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate
CID 170904406
3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine
CID 82932711
[1-(4-chlorophenyl)-3-(thian-4-yl)propan-2-yl]hydrazine
CID 105283379
N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63428446

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine (CID 82077917) is 3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine is NCC(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine?
The InChIKey is IESCSYOWUCVOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c13-12-5-1-9(2-6-12)7-11(8-14)10-3-4-10/h1-2,5-6,10-11H,3-4,7-8,14H2.
What are the key properties of 3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine?
3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine has a molecular weight of 209.72 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-cyclopropylpropan-1-amine is sourced from PubChem (CID 82077917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).