N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline

C20H18ClNO — CID 2245086

IUPACN-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline
SMILESCOc1ccc(-c2ccccc2)cc1NCc1cccc(Cl)c1
InChIInChI=1S/C20H18ClNO/c1-23-20-11-10-17(16-7-3-2-4-8-16)13-19(20)22-14-15-6-5-9-18(21)12-15/h2-13,22H,14H2,1H3
InChIKeyHACCKFJFQBFWPJ-UHFFFAOYSA-N
MW323.82 g/mol
LogP5.63
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline

N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline (PubChem CID 2245086) has the molecular formula C20H18ClNO and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline
PubChem CID2245086
Molecular FormulaC20H18ClNO
Molecular Weight323.82 g/mol
Exact Mass323.11
IUPAC NameN-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline
SMILESCOc1ccc(-c2ccccc2)cc1NCc1cccc(Cl)c1
InChIInChI=1S/C20H18ClNO/c1-23-20-11-10-17(16-7-3-2-4-8-16)13-19(20)22-14-15-6-5-9-18(21)12-15/h2-13,22H,14H2,1H3
InChIKeyHACCKFJFQBFWPJ-UHFFFAOYSA-N
XLogP5.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.82
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline
CID 2846564
N-[(3-chlorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 106660476
4-bromo-N-[(3-chlorophenyl)methyl]-2-methoxyaniline
CID 166090636
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
1-N-[(3-chlorophenyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259169
N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide
CID 90459882
2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467002
3-[(5-chloro-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61319274
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline
CID 83235721
(2-methoxy-5-phenylanilino)azanium chloride
CID 11368724
4-[(5-chloro-2-methoxyanilino)methyl]benzoic acid
CID 39398714
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline (CID 2245086) is N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline is COc1ccc(-c2ccccc2)cc1NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline?
The InChIKey is HACCKFJFQBFWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO/c1-23-20-11-10-17(16-7-3-2-4-8-16)13-19(20)22-14-15-6-5-9-18(21)12-15/h2-13,22H,14H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline?
N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline has a molecular weight of 323.82 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline is sourced from PubChem (CID 2245086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).