1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine

C17H20ClNO2 — CID 116773364

IUPAC1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine
SMILESCCOC(c1ccccc1)C(N)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-3-21-17(12-7-5-4-6-8-12)16(19)13-9-10-14(18)15(11-13)20-2/h4-11,16-17H,3,19H2,1-2H3
InChIKeySATOHZLHNDAKFK-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.13
Rot. Bonds6

About 1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine

1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine (PubChem CID 116773364) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine
PubChem CID116773364
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine
SMILESCCOC(c1ccccc1)C(N)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-3-21-17(12-7-5-4-6-8-12)16(19)13-9-10-14(18)15(11-13)20-2/h4-11,16-17H,3,19H2,1-2H3
InChIKeySATOHZLHNDAKFK-UHFFFAOYSA-N
XLogP4.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
CID 79701061
1-(4-chloro-3-methoxyphenyl)-2,2-dimethoxyethanamine
CID 79698300
[(4-chloro-3-methoxyphenyl)-phenylmethyl]hydrazine
CID 105199196
1-(4-chloro-3-methoxyphenyl)-2-methoxypentan-1-amine
CID 116718489
1-(4-chloro-3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105007097
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 79698284
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol
CID 79697411
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117
(1S,2R)-1-amino-1-(4-chloro-3-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171270141
ethyl (3R)-3-amino-3-(4-chloro-3-methoxyphenyl)propanoate
CID 171211149
1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol
CID 79700071

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine (CID 116773364) is 1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine is CCOC(c1ccccc1)C(N)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine?
The InChIKey is SATOHZLHNDAKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-21-17(12-7-5-4-6-8-12)16(19)13-9-10-14(18)15(11-13)20-2/h4-11,16-17H,3,19H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine?
1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-ethoxy-2-phenylethanamine is sourced from PubChem (CID 116773364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).