4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline

C17H20ClNO — CID 107621318

IUPAC4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCOc1cc(NCc2cc(C)c(C)cc2C)ccc1Cl
InChIInChI=1S/C17H20ClNO/c1-11-7-13(3)14(8-12(11)2)10-19-15-5-6-16(18)17(9-15)20-4/h5-9,19H,10H2,1-4H3
InChIKeyDCFGUSCWHZKAOC-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.89
Rot. Bonds4

About 4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline

4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline (PubChem CID 107621318) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
PubChem CID107621318
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCOc1cc(NCc2cc(C)c(C)cc2C)ccc1Cl
InChIInChI=1S/C17H20ClNO/c1-11-7-13(3)14(8-12(11)2)10-19-15-5-6-16(18)17(9-15)20-4/h5-9,19H,10H2,1-4H3
InChIKeyDCFGUSCWHZKAOC-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol
CID 107272138
4-chloro-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-3-methoxyaniline
CID 107621337
2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol
CID 107272130
N-[(3-bromo-4-methylphenyl)methyl]-4-chloro-3-methoxyaniline
CID 107621235
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
methyl 2-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272147
4-chloro-3-methoxy-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 107266038
4-chloro-3-methoxy-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107621623
4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline
CID 107268053
4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline
CID 107268066

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The IUPAC name of 4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline (CID 107621318) is 4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline.
What is the SMILES notation for 4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The canonical SMILES for 4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline is COc1cc(NCc2cc(C)c(C)cc2C)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The InChIKey is DCFGUSCWHZKAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-11-7-13(3)14(8-12(11)2)10-19-15-5-6-16(18)17(9-15)20-4/h5-9,19H,10H2,1-4H3.
What are the key properties of 4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline?
4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline has a molecular weight of 289.81 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline is sourced from PubChem (CID 107621318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).