1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine

C15H24ClNO3 — CID 103035615

IUPAC1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
SMILESCOc1cc(C(N)CCC(C)(C)OC)cc(Cl)c1OC
InChIInChI=1S/C15H24ClNO3/c1-15(2,20-5)7-6-12(17)10-8-11(16)14(19-4)13(9-10)18-3/h8-9,12H,6-7,17H2,1-5H3
InChIKeyLTMXEAKEHIZGEC-UHFFFAOYSA-N
MW301.81 g/mol
LogP3.56
Rot. Bonds7

About 1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine

1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 103035615) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
PubChem CID103035615
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
SMILESCOc1cc(C(N)CCC(C)(C)OC)cc(Cl)c1OC
InChIInChI=1S/C15H24ClNO3/c1-15(2,20-5)7-6-12(17)10-8-11(16)14(19-4)13(9-10)18-3/h8-9,12H,6-7,17H2,1-5H3
InChIKeyLTMXEAKEHIZGEC-UHFFFAOYSA-N
XLogP3.56
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-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-4,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 62601776
1-(3-chloro-4,5-dimethoxyphenyl)pent-4-yn-1-amine
CID 63655288
1-(3,5-dichloro-4-methoxyphenyl)butan-1-amine
CID 82550774
3-amino-3-(3-chloro-4,5-dimethoxyphenyl)propanoic acid
CID 170872581
1-(3-chloro-4,5-dimethoxyphenyl)-2-phenylethanamine
CID 60955928
(1R)-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171199597
1-(2,3-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031814
1-(3-chloro-4,5-dimethoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530018
[1-(3-chloro-4,5-dimethoxyphenyl)-2,2-dimethylpropyl]hydrazine
CID 105204625
1-(3-chloro-4-methoxyphenyl)-4-methoxy-4-methylpentan-1-ol
CID 103035148
(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 171219160
1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 60955806

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine (CID 103035615) is 1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine is COc1cc(C(N)CCC(C)(C)OC)cc(Cl)c1OC.
What is the InChIKey of 1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is LTMXEAKEHIZGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-15(2,20-5)7-6-12(17)10-8-11(16)14(19-4)13(9-10)18-3/h8-9,12H,6-7,17H2,1-5H3.
What are the key properties of 1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine?
1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 301.81 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4,5-dimethoxyphenyl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103035615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).