1-(4-cyclopropylphenyl)propan-2-amine

C12H17N — CID 79983899

IUPAC1-(4-cyclopropylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(C2CC2)cc1
InChIInChI=1S/C12H17N/c1-9(13)8-10-2-4-11(5-3-10)12-6-7-12/h2-5,9,12H,6-8,13H2,1H3
InChIKeyXSHQTPYZJPPMMZ-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.45
Rot. Bonds3

About 1-(4-cyclopropylphenyl)propan-2-amine

1-(4-cyclopropylphenyl)propan-2-amine (PubChem CID 79983899) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)propan-2-amine
PubChem CID79983899
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1-(4-cyclopropylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(C2CC2)cc1
InChIInChI=1S/C12H17N/c1-9(13)8-10-2-4-11(5-3-10)12-6-7-12/h2-5,9,12H,6-8,13H2,1H3
InChIKeyXSHQTPYZJPPMMZ-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-cyclopropylphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(thietan-3-yl)phenyl]propan-2-amine
CID 117296864
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
3-(4-cyclohexylphenyl)-2-methylpropan-1-amine
CID 116924713
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
1-(4-cyclopropylsulfanylphenyl)propan-2-amine
CID 117296861
1-(2-chloropropyl)-4-cyclohexylbenzene
CID 82255538
1-(4-chlorophenyl)propan-2-amine
CID 3127
1-[3-(oxan-4-yl)phenyl]propan-2-amine
CID 117313397
1-(4-cyclohexylphenyl)-N-methylpropan-2-amine
CID 82262296
4-amino-3-(4-cyclopropylphenyl)pentan-1-ol
CID 79977799
1-cyclopropyl-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79979277
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)propan-2-amine?
The IUPAC name of 1-(4-cyclopropylphenyl)propan-2-amine (CID 79983899) is 1-(4-cyclopropylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-cyclopropylphenyl)propan-2-amine is CC(N)Cc1ccc(C2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropylphenyl)propan-2-amine?
The InChIKey is XSHQTPYZJPPMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9(13)8-10-2-4-11(5-3-10)12-6-7-12/h2-5,9,12H,6-8,13H2,1H3.
What are the key properties of 1-(4-cyclopropylphenyl)propan-2-amine?
1-(4-cyclopropylphenyl)propan-2-amine has a molecular weight of 175.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)propan-2-amine is sourced from PubChem (CID 79983899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).