N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline

C21H20ClNO — CID 23795626

IUPACN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline
SMILESCc1ccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H20ClNO/c1-16-5-11-20(12-6-16)23-14-18-3-2-4-21(13-18)24-15-17-7-9-19(22)10-8-17/h2-13,23H,14-15H2,1H3
InChIKeyXYHFRDQKYWQJBZ-UHFFFAOYSA-N
MW337.85 g/mol
LogP5.84
Rot. Bonds6

About N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline (PubChem CID 23795626) has the molecular formula C21H20ClNO and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline
PubChem CID23795626
Molecular FormulaC21H20ClNO
Molecular Weight337.85 g/mol
Exact Mass337.12
IUPAC NameN-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline
SMILESCc1ccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C21H20ClNO/c1-16-5-11-20(12-6-16)23-14-18-3-2-4-21(13-18)24-15-17-7-9-19(22)10-8-17/h2-13,23H,14-15H2,1H3
InChIKeyXYHFRDQKYWQJBZ-UHFFFAOYSA-N
XLogP5.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.85
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128892
2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702
3-chloro-2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126127986
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17209881
2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 17210985
4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126125748
N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-5-chloro-2-methylaniline
CID 126127108
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline?
The IUPAC name of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline (CID 23795626) is N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline.
What is the SMILES notation for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline?
The canonical SMILES for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline is Cc1ccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline?
The InChIKey is XYHFRDQKYWQJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO/c1-16-5-11-20(12-6-16)23-14-18-3-2-4-21(13-18)24-15-17-7-9-19(22)10-8-17/h2-13,23H,14-15H2,1H3.
What are the key properties of N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline?
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline has a molecular weight of 337.85 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline is sourced from PubChem (CID 23795626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).