N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline

C15H16ClNO — CID 139611066

IUPACN-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
SMILESCOc1ccc(Nc2ccc(Cl)cc2C)c(C)c1
InChIInChI=1S/C15H16ClNO/c1-10-8-12(16)4-6-14(10)17-15-7-5-13(18-3)9-11(15)2/h4-9,17H,1-3H3
InChIKeyDMVKTOPVIRKVMO-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.71
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline

N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline (PubChem CID 139611066) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
PubChem CID139611066
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC NameN-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
SMILESCOc1ccc(Nc2ccc(Cl)cc2C)c(C)c1
InChIInChI=1S/C15H16ClNO/c1-10-8-12(16)4-6-14(10)17-15-7-5-13(18-3)9-11(15)2/h4-9,17H,1-3H3
InChIKeyDMVKTOPVIRKVMO-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
CID 139788451
2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858
2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 55130091
4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
CID 55129912
6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63272259
4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103590332
2-N-(4-chloro-2-methylphenyl)-4-N-(2,4-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930055
5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349039
4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol
CID 62867698
2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
CID 28622648
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
4-N-(4-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930022

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline (CID 139611066) is N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline is COc1ccc(Nc2ccc(Cl)cc2C)c(C)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline?
The InChIKey is DMVKTOPVIRKVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-8-12(16)4-6-14(10)17-15-7-5-13(18-3)9-11(15)2/h4-9,17H,1-3H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline?
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline has a molecular weight of 261.75 g/mol, XLogP of 4.71, 3 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)-4-methoxy-2-methylaniline is sourced from PubChem (CID 139611066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).