1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine

C16H18ClNO2 — CID 116809899

IUPAC1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine
SMILESCOc1cccc(OC)c1C(C)(N)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO2/c1-16(18,11-7-9-12(17)10-8-11)15-13(19-2)5-4-6-14(15)20-3/h4-10H,18H2,1-3H3
InChIKeyZLFYOPALNHISRV-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.58
Rot. Bonds4

About 1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine

1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine (PubChem CID 116809899) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine
PubChem CID116809899
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine
SMILESCOc1cccc(OC)c1C(C)(N)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO2/c1-16(18,11-7-9-12(17)10-8-11)15-13(19-2)5-4-6-14(15)20-3/h4-10H,18H2,1-3H3
InChIKeyZLFYOPALNHISRV-UHFFFAOYSA-N
XLogP3.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethoxy-2-(trichloromethyl)benzene
CID 174688195
1-(4-chlorophenyl)-1-(2-methylphenyl)ethanamine
CID 60798734
3-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 116811364
1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 62790432
3-(2,6-dimethoxyphenyl)pentan-3-amine
CID 116809908
1-amino-1-(4-chlorophenyl)ethanol
CID 23370677
(2R)-2-amino-2-(2-methoxy-6-methylphenyl)propan-1-ol
CID 55268996
[2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane
CID 19417903
1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine
CID 63408144
1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine
CID 62801327
N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline
CID 59819325
2-tert-butyl-1-iodo-3-methoxybenzene
CID 146377094

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine (CID 116809899) is 1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine is COc1cccc(OC)c1C(C)(N)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine?
The InChIKey is ZLFYOPALNHISRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-16(18,11-7-9-12(17)10-8-11)15-13(19-2)5-4-6-14(15)20-3/h4-10H,18H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine?
1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 116809899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).