1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

C16H26ClNO — CID 103031415

IUPAC1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1cc(C)cc(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-6-18-15(7-8-16(3,4)19-5)13-9-12(2)10-14(17)11-13/h9-11,15,18H,6-8H2,1-5H3
InChIKeyPGXQCFUCMYHYPT-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.50
Rot. Bonds7

About 1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031415) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103031415
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1cc(C)cc(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-6-18-15(7-8-16(3,4)19-5)13-9-12(2)10-14(17)11-13/h9-11,15,18H,6-8H2,1-5H3
InChIKeyPGXQCFUCMYHYPT-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031318
1-(3-chloro-5-methylphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031602
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031551
1-(2-bromo-4-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 107995834
N-ethyl-1-(4-ethylsulfanylphenyl)-4-methoxy-4-methylpentan-1-amine
CID 106849061
1-(3-chloro-5-methylphenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 81316183
1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024119
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031765
1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031354
1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 81315675
2-(2-chloro-4-methylphenyl)-1-(3-chloro-5-methylphenyl)-N-ethylethanamine
CID 106867810

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (CID 103031415) is 1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)c1cc(C)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is PGXQCFUCMYHYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-6-18-15(7-8-16(3,4)19-5)13-9-12(2)10-14(17)11-13/h9-11,15,18H,6-8H2,1-5H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
1-(3-chloro-5-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.50, 7 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)-N-ethyl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).