4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline

C20H18ClNO — CID 58019873

IUPAC4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
SMILESCOc1ccc(Cc2ccc(N)cc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C20H18ClNO/c1-23-20-10-7-15(11-14-5-8-18(22)9-6-14)12-19(20)16-3-2-4-17(21)13-16/h2-10,12-13H,11,22H2,1H3
InChIKeyAXZGXLIMYARFGY-UHFFFAOYSA-N
MW323.82 g/mol
LogP5.19
Rot. Bonds4

About 4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline

4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline (PubChem CID 58019873) has the molecular formula C20H18ClNO and a molecular weight of 323.82 g/mol. Its IUPAC name is 4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline.

Molecular Properties

Compound Name4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
PubChem CID58019873
Molecular FormulaC20H18ClNO
Molecular Weight323.82 g/mol
Exact Mass323.11
IUPAC Name4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
SMILESCOc1ccc(Cc2ccc(N)cc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C20H18ClNO/c1-23-20-10-7-15(11-14-5-8-18(22)9-6-14)12-19(20)16-3-2-4-17(21)13-16/h2-10,12-13H,11,22H2,1H3
InChIKeyAXZGXLIMYARFGY-UHFFFAOYSA-N
XLogP5.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.82
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-{1-[2-(3-Chlorophenyl)ethoxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10072320
D-159687
CID 57703712
4-chloro-N-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 141732269
N-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-4-fluoroaniline
CID 141732270
N-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-4-methoxyaniline
CID 141732271
1-N-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 141732281
4-(2-Methoxyphenyl)aniline
CID 2759559
4'-Chloro-6-methoxy-[1,1'-biphenyl]-3-amine
CID 13059041
4-[2-(4-Methoxyphenyl)ethyl]aniline
CID 14555208
(4Methoxyphenyl)-benzidine
CID 20081004
3'-Chloro-6-methoxy-[1,1'-biphenyl]-3-amine
CID 21914167
4-Chloro-2-(4-methoxyphenyl)aniline
CID 24755171

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline?
The IUPAC name of 4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline (CID 58019873) is 4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline.
What is the SMILES notation for 4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline?
The canonical SMILES for 4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline is COc1ccc(Cc2ccc(N)cc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline?
The InChIKey is AXZGXLIMYARFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO/c1-23-20-10-7-15(11-14-5-8-18(22)9-6-14)12-19(20)16-3-2-4-17(21)13-16/h2-10,12-13H,11,22H2,1H3.
What are the key properties of 4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline?
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline has a molecular weight of 323.82 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline is sourced from PubChem (CID 58019873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).