1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine

C15H24ClNO — CID 103031602

IUPAC1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1cc(C)cc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-11-8-12(10-13(16)9-11)14(17-4)6-7-15(2,3)18-5/h8-10,14,17H,6-7H2,1-5H3
InChIKeyRVVQLPUUUODSJM-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.11
Rot. Bonds6

About 1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine

1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine (PubChem CID 103031602) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
PubChem CID103031602
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1cc(C)cc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-11-8-12(10-13(16)9-11)14(17-4)6-7-15(2,3)18-5/h8-10,14,17H,6-7H2,1-5H3
InChIKeyRVVQLPUUUODSJM-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-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

1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031415
1-(3,5-dibromophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 114023299
1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105024334
1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031318
1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031675
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
1-(3-chloro-5-methylphenyl)-N-methylhex-5-yn-1-amine
CID 105034185
1-(3,5-dimethylphenyl)-3-methoxy-N-methylpropan-1-amine
CID 61412351
1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032329
[1-(2,6-dimethyl-4-pyridinyl)-4-methoxy-4-methylpentyl]hydrazine
CID 107504862
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032302
1-(3-chloro-5-fluorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035286

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine (CID 103031602) is 1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine is CNC(CCC(C)(C)OC)c1cc(C)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The InChIKey is RVVQLPUUUODSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-11-8-12(10-13(16)9-11)14(17-4)6-7-15(2,3)18-5/h8-10,14,17H,6-7H2,1-5H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine?
1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 103031602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).