2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine

C18H30ClNO — CID 103036902

IUPAC2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCOC(C)(C)CCC(CNCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C18H30ClNO/c1-14(2)12-20-13-16(10-11-18(3,4)21-5)15-6-8-17(19)9-7-15/h6-9,14,16,20H,10-13H2,1-5H3
InChIKeyJGNSNSKHGSYRHY-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.87
Rot. Bonds9

About 2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine

2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 103036902) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID103036902
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC Name2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
SMILESCOC(C)(C)CCC(CNCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C18H30ClNO/c1-14(2)12-20-13-16(10-11-18(3,4)21-5)15-6-8-17(19)9-7-15/h6-9,14,16,20H,10-13H2,1-5H3
InChIKeyJGNSNSKHGSYRHY-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-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

6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine
CID 103020013
N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine
CID 103036870
2-(4-chlorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 66436507
2-(2-bromophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036952
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028171
N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine
CID 103984798
2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine
CID 103036915
2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 79441719
2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine
CID 83169176
2-benzyl-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036646
N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine
CID 103036875
6-methoxy-2,6-dimethyl-N-(2-methylpropyl)heptan-1-amine
CID 103019805

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine (CID 103036902) is 2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine is COC(C)(C)CCC(CNCC(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is JGNSNSKHGSYRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNO/c1-14(2)12-20-13-16(10-11-18(3,4)21-5)15-6-8-17(19)9-7-15/h6-9,14,16,20H,10-13H2,1-5H3.
What are the key properties of 2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine?
2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 311.90 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 103036902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).