2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline

C15H16ClN — CID 39349080

IUPAC2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline
SMILESCc1ccc(C)c(Cc2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C15H16ClN/c1-10-3-4-11(2)13(7-10)8-12-5-6-14(16)15(17)9-12/h3-7,9H,8,17H2,1-2H3
InChIKeyPKGUQBSGAJHFPG-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.13
Rot. Bonds2

About 2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline

2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline (PubChem CID 39349080) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline
PubChem CID39349080
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline
SMILESCc1ccc(C)c(Cc2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C15H16ClN/c1-10-3-4-11(2)13(7-10)8-12-5-6-14(16)15(17)9-12/h3-7,9H,8,17H2,1-2H3
InChIKeyPKGUQBSGAJHFPG-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline
CID 82044512
2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]aniline
CID 43350016
2-[(2,5-dimethylphenyl)methyl]naphthalene
CID 101429734
N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)acetamide
CID 62537999
5-benzyl-2-chloroaniline
CID 39243776
1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene
CID 22768598
1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene
CID 123745786
2-chloro-5-[(2-methylphenoxy)methyl]aniline
CID 43349942
4-[(2,5-dimethylphenyl)methyl]benzoic acid
CID 116927171
1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
CID 20734489
2-bromo-1,4-dimethylbenzene;1,4-dimethyl-2-[(3-methylphenyl)methyl]benzene;3-methylaniline
CID 159467395
2-chloro-5-(methoxymethyl)aniline
CID 43349916

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline?
The IUPAC name of 2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline (CID 39349080) is 2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline.
What is the SMILES notation for 2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline?
The canonical SMILES for 2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline is Cc1ccc(C)c(Cc2ccc(Cl)c(N)c2)c1.
What is the InChIKey of 2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline?
The InChIKey is PKGUQBSGAJHFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-10-3-4-11(2)13(7-10)8-12-5-6-14(16)15(17)9-12/h3-7,9H,8,17H2,1-2H3.
What are the key properties of 2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline?
2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline has a molecular weight of 245.75 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,5-dimethylphenyl)methyl]aniline is sourced from PubChem (CID 39349080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).