N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine

C17H20ClNO — CID 103902287

IUPACN-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
SMILESCOCC(NC(C)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-13(15-9-6-10-16(18)11-15)19-17(12-20-2)14-7-4-3-5-8-14/h3-11,13,17,19H,12H2,1-2H3
InChIKeyJNSAGQXUBMIAHK-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.38
Rot. Bonds6

About N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine

N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine (PubChem CID 103902287) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
PubChem CID103902287
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
SMILESCOCC(NC(C)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-13(15-9-6-10-16(18)11-15)19-17(12-20-2)14-7-4-3-5-8-14/h3-11,13,17,19H,12H2,1-2H3
InChIKeyJNSAGQXUBMIAHK-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 103464451
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103464457
1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine
CID 103463748
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-phenylpentan-1-amine
CID 81361767
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902285
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 104881782
1-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine (CID 103902287) is N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine is COCC(NC(C)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine?
The InChIKey is JNSAGQXUBMIAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13(15-9-6-10-16(18)11-15)19-17(12-20-2)14-7-4-3-5-8-14/h3-11,13,17,19H,12H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine?
N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine is sourced from PubChem (CID 103902287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).