4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline

C16H18ClNO — CID 106861452

IUPAC4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline
SMILESCc1ccc(COc2c(C)cc(N)cc2C)c(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-10-4-5-13(15(17)6-10)9-19-16-11(2)7-14(18)8-12(16)3/h4-8H,9,18H2,1-3H3
InChIKeyPYSVSSIMZHBSRM-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.43
Rot. Bonds3

About 4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline

4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline (PubChem CID 106861452) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline.

Molecular Properties

Compound Name4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline
PubChem CID106861452
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline
SMILESCc1ccc(COc2c(C)cc(N)cc2C)c(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-10-4-5-13(15(17)6-10)9-19-16-11(2)7-14(18)8-12(16)3/h4-8H,9,18H2,1-3H3
InChIKeyPYSVSSIMZHBSRM-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
CID 106861414
4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide
CID 106955508
1-[3,5-dibromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741724
1-bromo-4-[(2-chloro-4-methylphenyl)methoxy]-2-methylbenzene
CID 106863672
1-[(2-chloro-4-methylphenyl)methoxy]naphthalene
CID 106870276
1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 106861886
[2-[(2-chloro-4-methylphenyl)methoxy]-3-fluorophenyl]methanol
CID 106864412
4-chloro-3-[(2,6-dimethylphenoxy)methyl]aniline
CID 43350124
3-bromo-4-[(2-chloro-4-methylphenoxy)methyl]aniline
CID 55104427
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271
(1S)-1-[2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861855

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline?
The IUPAC name of 4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline (CID 106861452) is 4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline.
What is the SMILES notation for 4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline?
The canonical SMILES for 4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline is Cc1ccc(COc2c(C)cc(N)cc2C)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline?
The InChIKey is PYSVSSIMZHBSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-10-4-5-13(15(17)6-10)9-19-16-11(2)7-14(18)8-12(16)3/h4-8H,9,18H2,1-3H3.
What are the key properties of 4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline?
4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline has a molecular weight of 275.78 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline is sourced from PubChem (CID 106861452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).