4-(chloromethyl)-2-methylaniline

C8H10ClN — CID 15510059

IUPAC4-(chloromethyl)-2-methylaniline
SMILESCc1cc(CCl)ccc1N
InChIInChI=1S/C8H10ClN/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,5,10H2,1H3
InChIKeyBKDXJTMYCMPFHW-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.32
Rot. Bonds1

About 4-(chloromethyl)-2-methylaniline

4-(chloromethyl)-2-methylaniline (PubChem CID 15510059) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methylaniline.

Molecular Properties

Compound Name4-(chloromethyl)-2-methylaniline
PubChem CID15510059
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name4-(chloromethyl)-2-methylaniline
SMILESCc1cc(CCl)ccc1N
InChIInChI=1S/C8H10ClN/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,5,10H2,1H3
InChIKeyBKDXJTMYCMPFHW-UHFFFAOYSA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline
CID 68660073
4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane
CID 155059275
4-(aminomethyl)-2-methylaniline
CID 18727732
1-(4-amino-3-methylphenyl)-3-chloropropan-2-one
CID 118838029
1-chloro-4-(chloromethyl)-2-methylbenzene
CID 524342
4-[2-[4-[5-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]pentyl]phenyl]ethyl]-2-methylaniline
CID 139903302
4-(cyclopropylmethyl)-2-methylaniline
CID 131504223
4-heptyl-2-methylaniline
CID 23348805
4-[[4-[14-[4-[(4-amino-3-methylphenyl)methyl]phenyl]tetradecyl]phenyl]methyl]-2-methylaniline
CID 22920596
4-[[4-[16-[4-[(4-amino-3-methylphenyl)methyl]phenyl]hexadecyl]phenyl]methyl]-2-methylaniline
CID 22919944
4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline
CID 22061774
4-(chloromethyl)-2-methyl-1-propylbenzene
CID 91499094

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-methylaniline?
The IUPAC name of 4-(chloromethyl)-2-methylaniline (CID 15510059) is 4-(chloromethyl)-2-methylaniline.
What is the SMILES notation for 4-(chloromethyl)-2-methylaniline?
The canonical SMILES for 4-(chloromethyl)-2-methylaniline is Cc1cc(CCl)ccc1N.
What is the InChIKey of 4-(chloromethyl)-2-methylaniline?
The InChIKey is BKDXJTMYCMPFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,5,10H2,1H3.
What are the key properties of 4-(chloromethyl)-2-methylaniline?
4-(chloromethyl)-2-methylaniline has a molecular weight of 155.63 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-methylaniline is sourced from PubChem (CID 15510059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).