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

C16H25Cl2NO — CID 116724752

IUPAC1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)C(OC)C(C)(C)C
InChIInChI=1S/C16H25Cl2NO/c1-6-19-14(15(20-5)16(2,3)4)10-11-7-8-12(17)13(18)9-11/h7-9,14-15,19H,6,10H2,1-5H3
InChIKeyKPXWDWHSNZMVRE-UHFFFAOYSA-N
MW318.29 g/mol
LogP4.58
Rot. Bonds6

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

1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine (PubChem CID 116724752) has the molecular formula C16H25Cl2NO and a molecular weight of 318.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
PubChem CID116724752
Molecular FormulaC16H25Cl2NO
Molecular Weight318.29 g/mol
Exact Mass317.13
IUPAC Name1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)C(OC)C(C)(C)C
InChIInChI=1S/C16H25Cl2NO/c1-6-19-14(15(20-5)16(2,3)4)10-11-7-8-12(17)13(18)9-11/h7-9,14-15,19H,6,10H2,1-5H3
InChIKeyKPXWDWHSNZMVRE-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724680
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724731
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 103049142
1-cyclopropyl-3-(3,4-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723664
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 116724723
1-(4-bromothiophen-2-yl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724855
[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105210893
1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 62604166
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 107884718
1-(3,4-dimethylphenyl)-N-ethyl-3-methoxybutan-2-amine
CID 79616585
1-(3,4-dichlorophenyl)-N-ethyl-4-methylpent-3-en-2-amine
CID 79190086
1-(2,6-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63527991

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine (CID 116724752) is 1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine is CCNC(Cc1ccc(Cl)c(Cl)c1)C(OC)C(C)(C)C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine?
The InChIKey is KPXWDWHSNZMVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2NO/c1-6-19-14(15(20-5)16(2,3)4)10-11-7-8-12(17)13(18)9-11/h7-9,14-15,19H,6,10H2,1-5H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine?
1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine has a molecular weight of 318.29 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 116724752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).