3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine

C17H26ClN — CID 83159897

IUPAC3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H26ClN/c1-13(2)11-19-12-17(3,15-6-7-15)10-14-4-8-16(18)9-5-14/h4-5,8-9,13,15,19H,6-7,10-12H2,1-3H3
InChIKeyMUTVIFZKOMNQHT-UHFFFAOYSA-N
MW279.86 g/mol
LogP4.54
Rot. Bonds7

About 3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine

3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 83159897) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID83159897
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H26ClN/c1-13(2)11-19-12-17(3,15-6-7-15)10-14-4-8-16(18)9-5-14/h4-5,8-9,13,15,19H,6-7,10-12H2,1-3H3
InChIKeyMUTVIFZKOMNQHT-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-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

3-(2-chloro-6-fluorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83159985
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 83160355
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83150803
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 83159454
2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 83159323
2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 83147897
3-(4-bromophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83149125
2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83159358
1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine
CID 114996120
4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol
CID 83159515
N-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 103041178
3-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
CID 83148247

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 83159897) is 3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(C)(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is MUTVIFZKOMNQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-13(2)11-19-12-17(3,15-6-7-15)10-14-4-8-16(18)9-5-14/h4-5,8-9,13,15,19H,6-7,10-12H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine?
3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 83159897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).