4-chloro-2-[(2-methylphenyl)methyl]aniline

C14H14ClN — CID 105490375

IUPAC4-chloro-2-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1Cc1cc(Cl)ccc1N
InChIInChI=1S/C14H14ClN/c1-10-4-2-3-5-11(10)8-12-9-13(15)6-7-14(12)16/h2-7,9H,8,16H2,1H3
InChIKeyQKIGVSHBEXFJNP-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.82
Rot. Bonds2

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

4-chloro-2-[(2-methylphenyl)methyl]aniline (PubChem CID 105490375) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 4-chloro-2-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-[(2-methylphenyl)methyl]aniline
PubChem CID105490375
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name4-chloro-2-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1Cc1cc(Cl)ccc1N
InChIInChI=1S/C14H14ClN/c1-10-4-2-3-5-11(10)8-12-9-13(15)6-7-14(12)16/h2-7,9H,8,16H2,1H3
InChIKeyQKIGVSHBEXFJNP-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.82
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

2-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 59646170
4-chloro-2-[(2-methoxyphenyl)methyl]aniline
CID 68567469
4-chloro-2-[(3-chlorophenyl)methyl]aniline
CID 21497394
4-chloro-2-[(2-chlorophenyl)methyl]-1-methylbenzene
CID 90782927
4-chloro-2-(pyridin-2-ylmethyl)aniline
CID 14005180
4-chloro-2-(methylaminomethyl)aniline
CID 21064005
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852
5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline
CID 154647758
2-[(4-chlorophenyl)methyl]aniline
CID 18412139
4-chloro-2-propylaniline
CID 23348961
2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 175547385
1-[4-chloro-2-[(2-methylphenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 114864628

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 4-chloro-2-[(2-methylphenyl)methyl]aniline (CID 105490375) is 4-chloro-2-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-chloro-2-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 4-chloro-2-[(2-methylphenyl)methyl]aniline is Cc1ccccc1Cc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-[(2-methylphenyl)methyl]aniline?
The InChIKey is QKIGVSHBEXFJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-10-4-2-3-5-11(10)8-12-9-13(15)6-7-14(12)16/h2-7,9H,8,16H2,1H3.
What are the key properties of 4-chloro-2-[(2-methylphenyl)methyl]aniline?
4-chloro-2-[(2-methylphenyl)methyl]aniline has a molecular weight of 231.73 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 105490375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).