2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine

C17H28ClNO — CID 103036915

IUPAC2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine
SMILESCOC(C)(C)CCC(CNC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H28ClNO/c1-13(2)19-12-15(9-10-17(3,4)20-5)14-7-6-8-16(18)11-14/h6-8,11,13,15,19H,9-10,12H2,1-5H3
InChIKeyAWMDAUSRNDMXHG-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.63
Rot. Bonds8

About 2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine

2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine (PubChem CID 103036915) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine
PubChem CID103036915
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine
SMILESCOC(C)(C)CCC(CNC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C17H28ClNO/c1-13(2)19-12-15(9-10-17(3,4)20-5)14-7-6-8-16(18)11-14/h6-8,11,13,15,19H,9-10,12H2,1-5H3
InChIKeyAWMDAUSRNDMXHG-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-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

2-(3-chlorophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442795
N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine
CID 103036910
2-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-1-amine
CID 79443240
N-tert-butyl-2-(3-chlorophenyl)-6-methylheptan-1-amine
CID 83169178
2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79433672
3-(3-chlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 146289120
N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108478
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 82870491
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644220
methyl 3-(3-chlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 146289126
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79443102
N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81366429

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine (CID 103036915) is 2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine is COC(C)(C)CCC(CNC(C)C)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine?
The InChIKey is AWMDAUSRNDMXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-13(2)19-12-15(9-10-17(3,4)20-5)14-7-6-8-16(18)11-14/h6-8,11,13,15,19H,9-10,12H2,1-5H3.
What are the key properties of 2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine?
2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 103036915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).