2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine

C17H20ClNO — CID 60818609

IUPAC2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1cccc(C(Cc2cccc(Cl)c2)NC)c1
InChIInChI=1S/C17H20ClNO/c1-3-20-16-9-5-7-14(12-16)17(19-2)11-13-6-4-8-15(18)10-13/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyRNRCJEJFNHZPTJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.24
Rot. Bonds6

About 2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine

2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine (PubChem CID 60818609) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
PubChem CID60818609
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
SMILESCCOc1cccc(C(Cc2cccc(Cl)c2)NC)c1
InChIInChI=1S/C17H20ClNO/c1-3-20-16-9-5-7-14(12-16)17(19-2)11-13-6-4-8-15(18)10-13/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyRNRCJEJFNHZPTJ-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
CID 82916536
3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973269
2-(3-chlorophenyl)-N-methyl-1-naphthalen-2-ylethanamine
CID 63412161
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424
2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 60819659
[1-(3-ethoxyphenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105192057
1-(3-ethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048319
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63411987
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 114821301
1-(3-ethoxyphenyl)-N-methylpropan-2-amine
CID 547093

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine (CID 60818609) is 2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine is CCOc1cccc(C(Cc2cccc(Cl)c2)NC)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine?
The InChIKey is RNRCJEJFNHZPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-20-16-9-5-7-14(12-16)17(19-2)11-13-6-4-8-15(18)10-13/h4-10,12,17,19H,3,11H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine?
2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 60818609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).