1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine

C16H25N — CID 63989908

IUPAC1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine
SMILESCc1ccc(C(C)NC(C)CC2CC2)cc1C
InChIInChI=1S/C16H25N/c1-11-5-8-16(9-12(11)2)14(4)17-13(3)10-15-6-7-15/h5,8-9,13-15,17H,6-7,10H2,1-4H3
InChIKeyAEEYBVKXIQXFEF-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.14
Rot. Bonds5

About 1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine

1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine (PubChem CID 63989908) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine
PubChem CID63989908
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine
SMILESCc1ccc(C(C)NC(C)CC2CC2)cc1C
InChIInChI=1S/C16H25N/c1-11-5-8-16(9-12(11)2)14(4)17-13(3)10-15-6-7-15/h5,8-9,13-15,17H,6-7,10H2,1-4H3
InChIKeyAEEYBVKXIQXFEF-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]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

N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 114985854
4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol
CID 63989091
(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol
CID 93082546
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 63990132
1-cyclopropyl-N-[1-(6-methoxynaphthalen-2-yl)ethyl]propan-2-amine
CID 63989530
1-cyclopropyl-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-2-amine
CID 63989729
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105254156
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 104866399
1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine
CID 113489748
(2R)-2-[1-(3,4-dimethylphenyl)ethylamino]butan-1-ol
CID 103922500
1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
CID 104866403

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine (CID 63989908) is 1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine is Cc1ccc(C(C)NC(C)CC2CC2)cc1C.
What is the InChIKey of 1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine?
The InChIKey is AEEYBVKXIQXFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11-5-8-16(9-12(11)2)14(4)17-13(3)10-15-6-7-15/h5,8-9,13-15,17H,6-7,10H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine?
1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 63989908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).