N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline

C16H18ClNO — CID 104854025

IUPACN-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCc2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H18ClNO/c1-12-8-15(17)7-6-14(12)10-18-16-5-3-4-13(9-16)11-19-2/h3-9,18H,10-11H2,1-2H3
InChIKeyNWCFDLOLNQNXKP-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.41
Rot. Bonds5

About N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline

N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline (PubChem CID 104854025) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline
PubChem CID104854025
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCc2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H18ClNO/c1-12-8-15(17)7-6-14(12)10-18-16-5-3-4-13(9-16)11-19-2/h3-9,18H,10-11H2,1-2H3
InChIKeyNWCFDLOLNQNXKP-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-nitrophenyl)methyl]-3-(methoxymethyl)aniline
CID 78998699
methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate
CID 104854030
4-chloro-N-[3-(methoxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 87026734
4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
CID 43672155
N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672063
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43672260
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
CID 114075337
1-(4-chloro-2-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 104853900
3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 104854341
3-chloro-N-[(2-methylphenyl)methyl]aniline
CID 28513469
N-[(3-bromo-4-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672204

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline?
The IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline (CID 104854025) is N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline is COCc1cccc(NCc2ccc(Cl)cc2C)c1.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline?
The InChIKey is NWCFDLOLNQNXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-8-15(17)7-6-14(12)10-18-16-5-3-4-13(9-16)11-19-2/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline?
N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline has a molecular weight of 275.78 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline is sourced from PubChem (CID 104854025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).