N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine

C17H20ClNO — CID 43489321

IUPACN-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1cc(Cl)ccc1OC
InChIInChI=1S/C17H20ClNO/c1-4-19-17(13-7-5-12(2)6-8-13)15-11-14(18)9-10-16(15)20-3/h5-11,17,19H,4H2,1-3H3
InChIKeyDEPVDRVFRVLZPZ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.36
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine

N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine (PubChem CID 43489321) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
PubChem CID43489321
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1cc(Cl)ccc1OC
InChIInChI=1S/C17H20ClNO/c1-4-19-17(13-7-5-12(2)6-8-13)15-11-14(18)9-10-16(15)20-3/h5-11,17,19H,4H2,1-3H3
InChIKeyDEPVDRVFRVLZPZ-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-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491448
N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43626308
N-[(5-bromo-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43487907
N-[(5-chloro-2-methoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854831
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 82884123
N-[(5-chloro-2-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 104546028
N-[(2-bromo-4-chlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 107987462
N-[(5-chloro-2-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492434
N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 106684605
N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81288457
N-[(2-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107987395
N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493615

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine (CID 43489321) is N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1)c1cc(Cl)ccc1OC.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine?
The InChIKey is DEPVDRVFRVLZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-4-19-17(13-7-5-12(2)6-8-13)15-11-14(18)9-10-16(15)20-3/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine?
N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)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-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43489321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).