2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine

C15H24ClNO — CID 116931184

IUPAC2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
SMILESCNCC(Cc1cc(Cl)c(C)cc1OC)C(C)C
InChIInChI=1S/C15H24ClNO/c1-10(2)13(9-17-4)7-12-8-14(16)11(3)6-15(12)18-5/h6,8,10,13,17H,7,9H2,1-5H3
InChIKeyVUQSALPDYGZFNB-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.69
Rot. Bonds6

About 2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine

2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine (PubChem CID 116931184) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
PubChem CID116931184
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
SMILESCNCC(Cc1cc(Cl)c(C)cc1OC)C(C)C
InChIInChI=1S/C15H24ClNO/c1-10(2)13(9-17-4)7-12-8-14(16)11(3)6-15(12)18-5/h6,8,10,13,17H,7,9H2,1-5H3
InChIKeyVUQSALPDYGZFNB-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-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-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931174
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 116931082
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931204
1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
CID 117306080
4-(5-chloro-2-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 83937517
1-chloro-5-(chloromethyl)-4-methoxy-2-methylbenzene
CID 82470034
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine
CID 116964692
4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine
CID 82473812
1-(5-chloro-2-methoxy-4-methylphenyl)-N-(chloromethyl)methanamine
CID 115263017
[(5-chloro-2-methoxy-4-methylphenyl)methylamino]methanethiol
CID 115227920
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 63521687
5-(5-chloro-2-methoxy-4-methylphenyl)pentane-2,3-diol
CID 83937566

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine (CID 116931184) is 2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine is CNCC(Cc1cc(Cl)c(C)cc1OC)C(C)C.
What is the InChIKey of 2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine?
The InChIKey is VUQSALPDYGZFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-10(2)13(9-17-4)7-12-8-14(16)11(3)6-15(12)18-5/h6,8,10,13,17H,7,9H2,1-5H3.
What are the key properties of 2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine?
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 116931184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).