N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine

C17H20ClNO — CID 115792936

IUPACN-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC)c1cccc(C)c1Cl
InChIInChI=1S/C17H20ClNO/c1-4-19-17(13-9-5-6-11-15(13)20-3)14-10-7-8-12(2)16(14)18/h5-11,17,19H,4H2,1-3H3
InChIKeyXWDTYDJCAAXEQN-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.36
Rot. Bonds5

About N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine

N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine (PubChem CID 115792936) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
PubChem CID115792936
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC)c1cccc(C)c1Cl
InChIInChI=1S/C17H20ClNO/c1-4-19-17(13-9-5-6-11-15(13)20-3)14-10-7-8-12(2)16(14)18/h5-11,17,19H,4H2,1-3H3
InChIKeyXWDTYDJCAAXEQN-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115793334
N-[(3-chloro-2-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 107102020
N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 105006456
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
N-[(2-methoxy-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106792216
N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842157
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 63081777
N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43562040
N-[(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 62945872
N-[(2-bromo-3-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 107982128
N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106878124

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine (CID 115792936) is N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine is CCNC(c1ccccc1OC)c1cccc(C)c1Cl.
What is the InChIKey of N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is XWDTYDJCAAXEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-4-19-17(13-9-5-6-11-15(13)20-3)14-10-7-8-12(2)16(14)18/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine?
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 115792936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).