1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine

C16H26ClNO — CID 115845507

IUPAC1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H26ClNO/c1-5-7-12(3)10-15(18-6-2)14-11-13(17)8-9-16(14)19-4/h8-9,11-12,15,18H,5-7,10H2,1-4H3
InChIKeyXYDPYOCGGLWYCD-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.83
Rot. Bonds8

About 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine

1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine (PubChem CID 115845507) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine
PubChem CID115845507
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H26ClNO/c1-5-7-12(3)10-15(18-6-2)14-11-13(17)8-9-16(14)19-4/h8-9,11-12,15,18H,5-7,10H2,1-4H3
InChIKeyXYDPYOCGGLWYCD-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N,3-diethylpentan-1-amine
CID 105028250
1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine
CID 115845367
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 104545976
N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine
CID 106792257
1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
CID 115845267
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105140924
1-(5-chloro-2-methoxyphenyl)-N-ethylpent-4-en-1-amine
CID 104987543
1-(5-chloro-2-methoxyphenyl)-N-ethylbut-3-yn-1-amine
CID 114977581
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388
2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616949
1-(5-chloro-2-methoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 62789352

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine (CID 115845507) is 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine is CCCC(C)CC(NCC)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine?
The InChIKey is XYDPYOCGGLWYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-7-12(3)10-15(18-6-2)14-11-13(17)8-9-16(14)19-4/h8-9,11-12,15,18H,5-7,10H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine?
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine is sourced from PubChem (CID 115845507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).