N-[(4-cyclopropylphenyl)methyl]propan-2-amine

C13H19N — CID 62491335

IUPACN-[(4-cyclopropylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C13H19N/c1-10(2)14-9-11-3-5-12(6-4-11)13-7-8-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyHQDVGLPVFQVOMT-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.06
Rot. Bonds4

About N-[(4-cyclopropylphenyl)methyl]propan-2-amine

N-[(4-cyclopropylphenyl)methyl]propan-2-amine (PubChem CID 62491335) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]propan-2-amine
PubChem CID62491335
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(4-cyclopropylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C13H19N/c1-10(2)14-9-11-3-5-12(6-4-11)13-7-8-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyHQDVGLPVFQVOMT-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79979277
(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol
CID 114985652
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine
CID 81351295
N-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine
CID 79979236
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 79979049
N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine
CID 79984769
2-[(4-cyclopropylphenyl)methylamino]-N,N-dimethylpropanamide
CID 79979065
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403532
N-[(4-iodophenyl)methyl]propan-2-amine
CID 65499360
(2S)-2-[(4-cyclobutylphenyl)methylamino]-4-methylpentanoic acid
CID 122037087
1-(4-cyclopropylphenyl)propan-2-amine
CID 79983899

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]propan-2-amine (CID 62491335) is N-[(4-cyclopropylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]propan-2-amine is CC(C)NCc1ccc(C2CC2)cc1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]propan-2-amine?
The InChIKey is HQDVGLPVFQVOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)14-9-11-3-5-12(6-4-11)13-7-8-13/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]propan-2-amine?
N-[(4-cyclopropylphenyl)methyl]propan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 62491335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).