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

C12H16ClN — CID 114996120

IUPAC1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine
SMILESCC(N)(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H16ClN/c1-12(14,10-4-5-10)8-9-2-6-11(13)7-3-9/h2-3,6-7,10H,4-5,8,14H2,1H3
InChIKeyDFAUYFZDWJMRAZ-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.01
Rot. Bonds3

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

1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine (PubChem CID 114996120) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine
PubChem CID114996120
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine
SMILESCC(N)(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H16ClN/c1-12(14,10-4-5-10)8-9-2-6-11(13)7-3-9/h2-3,6-7,10H,4-5,8,14H2,1H3
InChIKeyDFAUYFZDWJMRAZ-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 112567120
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3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
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2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine
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CID 84752651
3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84721389
1-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-4-chlorobenzene
CID 63542999
2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-2-amine
CID 60797835
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
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tert-butyl (2S)-2-amino-3-(4-chlorophenyl)-2-methylpropanoate
CID 15433370

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine (CID 114996120) is 1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine is CC(N)(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine?
The InChIKey is DFAUYFZDWJMRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-12(14,10-4-5-10)8-9-2-6-11(13)7-3-9/h2-3,6-7,10H,4-5,8,14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine?
1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine has a molecular weight of 209.72 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine is sourced from PubChem (CID 114996120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).