2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline

C15H16ClNO — CID 106861414

IUPAC2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
SMILESCc1ccc(COc2cc(C)ccc2N)c(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-10-3-5-12(13(16)7-10)9-18-15-8-11(2)4-6-14(15)17/h3-8H,9,17H2,1-2H3
InChIKeyZOGWIILHJBVHNF-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.12
Rot. Bonds3

About 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline

2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline (PubChem CID 106861414) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
PubChem CID106861414
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
SMILESCc1ccc(COc2cc(C)ccc2N)c(Cl)c1
InChIInChI=1S/C15H16ClNO/c1-10-3-5-12(13(16)7-10)9-18-15-8-11(2)4-6-14(15)17/h3-8H,9,17H2,1-2H3
InChIKeyZOGWIILHJBVHNF-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 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 ≤ 54.12
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-[(2,3-dichlorophenyl)methoxy]-4-methylaniline
CID 107305411
5-bromo-2-[(2-chloro-5-methylphenoxy)methyl]aniline
CID 114380808
4-[(2-chloro-4-methylphenyl)methoxy]-3,5-dimethylaniline
CID 106861452
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid
CID 106861515
2-[(2-bromophenyl)methoxy]-4-methylaniline
CID 24691550
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271
3-bromo-4-[(2-chloro-4-methylphenoxy)methyl]aniline
CID 55104427
1-[(2-chloro-4-methylphenyl)methoxy]naphthalene
CID 106870276
4-chloro-2-[(2,5-dimethylphenoxy)methyl]aniline
CID 79582976
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 104862274

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline (CID 106861414) is 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline is Cc1ccc(COc2cc(C)ccc2N)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline?
The InChIKey is ZOGWIILHJBVHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-3-5-12(13(16)7-10)9-18-15-8-11(2)4-6-14(15)17/h3-8H,9,17H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline?
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline has a molecular weight of 261.75 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline is sourced from PubChem (CID 106861414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).