N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine

C18H22ClNO — CID 81316265

IUPACN-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H22ClNO/c1-5-20-18(15-8-12(2)9-16(19)11-15)14-6-7-17(21-4)13(3)10-14/h6-11,18,20H,5H2,1-4H3
InChIKeyFNNLECDMDJSYEP-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.66
Rot. Bonds5

About N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine

N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine (PubChem CID 81316265) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
PubChem CID81316265
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Cl)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H22ClNO/c1-5-20-18(15-8-12(2)9-16(19)11-15)14-6-7-17(21-4)13(3)10-14/h6-11,18,20H,5H2,1-4H3
InChIKeyFNNLECDMDJSYEP-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315754
N-[(3-chloro-4-methylphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 107562129
N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493615
1-(3-chloro-5-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 81315877
N-[(3-chloro-5-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 104990354
N-[(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methyl]ethanamine
CID 104851189
N-[(2,4-difluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493625
N-[(2-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315884
N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025798
N-[(3,5-dichlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299159
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine (CID 81316265) is N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(Cl)c1)c1ccc(OC)c(C)c1.
What is the InChIKey of N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine?
The InChIKey is FNNLECDMDJSYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-5-20-18(15-8-12(2)9-16(19)11-15)14-6-7-17(21-4)13(3)10-14/h6-11,18,20H,5H2,1-4H3.
What are the key properties of N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine?
N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 81316265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).