1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine

C12H16ClN — CID 84781100

IUPAC1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine
SMILESCC(C)c1cc(Cl)cc(C2(N)CC2)c1
InChIInChI=1S/C12H16ClN/c1-8(2)9-5-10(7-11(13)6-9)12(14)3-4-12/h5-8H,3-4,14H2,1-2H3
InChIKeyANIGXOPGISCJEO-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.41
Rot. Bonds2

About 1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine

1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine (PubChem CID 84781100) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine
PubChem CID84781100
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine
SMILESCC(C)c1cc(Cl)cc(C2(N)CC2)c1
InChIInChI=1S/C12H16ClN/c1-8(2)9-5-10(7-11(13)6-9)12(14)3-4-12/h5-8H,3-4,14H2,1-2H3
InChIKeyANIGXOPGISCJEO-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine (CID 84781100) is 1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine is CC(C)c1cc(Cl)cc(C2(N)CC2)c1.
What is the InChIKey of 1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine?
The InChIKey is ANIGXOPGISCJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-8(2)9-5-10(7-11(13)6-9)12(14)3-4-12/h5-8H,3-4,14H2,1-2H3.
What are the key properties of 1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine?
1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine has a molecular weight of 209.72 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84781100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).