1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine

C14H21Cl2NO — CID 116719918

IUPAC1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1ccc(Cl)cc1Cl)C(OC)C(C)C
InChIInChI=1S/C14H21Cl2NO/c1-9(2)14(18-4)13(17-3)7-10-5-6-11(15)8-12(10)16/h5-6,8-9,13-14,17H,7H2,1-4H3
InChIKeyGVJCQHRAYNTJHW-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.79
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine

1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine (PubChem CID 116719918) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine
PubChem CID116719918
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(Cc1ccc(Cl)cc1Cl)C(OC)C(C)C
InChIInChI=1S/C14H21Cl2NO/c1-9(2)14(18-4)13(17-3)7-10-5-6-11(15)8-12(10)16/h5-6,8-9,13-14,17H,7H2,1-4H3
InChIKeyGVJCQHRAYNTJHW-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-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

3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 63401781
1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 55228646
1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine
CID 83161129
1-(3,4-dimethylphenyl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116720122
2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
CID 66059189
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine
CID 82262530
(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid
CID 99924303
3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495499
2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770042
1-(2-chloro-4-methylphenyl)-3-ethoxy-N,4,4-trimethylpentan-2-amine
CID 106868825
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 102619350

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine (CID 116719918) is 1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine is CNC(Cc1ccc(Cl)cc1Cl)C(OC)C(C)C.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine?
The InChIKey is GVJCQHRAYNTJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-9(2)14(18-4)13(17-3)7-10-5-6-11(15)8-12(10)16/h5-6,8-9,13-14,17H,7H2,1-4H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine?
1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine has a molecular weight of 290.23 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 116719918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).