2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine

C12H16ClN — CID 84677435

IUPAC2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine
SMILESCC(C)C1(N)CC1c1cccc(Cl)c1
InChIInChI=1S/C12H16ClN/c1-8(2)12(14)7-11(12)9-4-3-5-10(13)6-9/h3-6,8,11H,7,14H2,1-2H3
InChIKeyHELCZTAHHDQCOH-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.18
Rot. Bonds2

About 2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine

2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine (PubChem CID 84677435) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine
PubChem CID84677435
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine
SMILESCC(C)C1(N)CC1c1cccc(Cl)c1
InChIInChI=1S/C12H16ClN/c1-8(2)12(14)7-11(12)9-4-3-5-10(13)6-9/h3-6,8,11H,7,14H2,1-2H3
InChIKeyHELCZTAHHDQCOH-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-1-propan-2-ylcyclopropan-1-amine;hydrochloride
CID 90197722
2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 175097065
[2-(3-chlorophenyl)-1-methylcyclopropyl]methanol
CID 139784418
1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile
CID 131579141
1-[2-(3-chlorophenyl)cyclopropyl]ethanol
CID 53275693
2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81014080
dimethyl 4-(3-chlorophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate
CID 775751
(1R)-1-[(2S,3S)-3-(3-chlorophenyl)oxiran-2-yl]ethanol
CID 132937968
(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane
CID 30122314
1-chloro-3-[(1R)-2,2-dimethylcyclopropyl]benzene;ethane;5-methyl-1H-imidazol-2-amine
CID 142058036
(4R)-4-(3-chlorophenyl)-3,3-diethylpyrrolidine
CID 125451105
4-(3-chlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320660

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine (CID 84677435) is 2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine is CC(C)C1(N)CC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine?
The InChIKey is HELCZTAHHDQCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-8(2)12(14)7-11(12)9-4-3-5-10(13)6-9/h3-6,8,11H,7,14H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine?
2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine has a molecular weight of 209.72 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 84677435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).