2-(chloromethyl)-5-methylaniline

C8H10ClN — CID 91883475

IUPAC2-(chloromethyl)-5-methylaniline
SMILESCc1ccc(CCl)c(N)c1
InChIInChI=1S/C8H10ClN/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,5,10H2,1H3
InChIKeyKVWNBDSXPHDTAA-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.32
Rot. Bonds1

About 2-(chloromethyl)-5-methylaniline

2-(chloromethyl)-5-methylaniline (PubChem CID 91883475) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methylaniline.

Molecular Properties

Compound Name2-(chloromethyl)-5-methylaniline
PubChem CID91883475
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name2-(chloromethyl)-5-methylaniline
SMILESCc1ccc(CCl)c(N)c1
InChIInChI=1S/C8H10ClN/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,5,10H2,1H3
InChIKeyKVWNBDSXPHDTAA-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

2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline
CID 141256981
5-methyl-2-prop-2-enylaniline
CID 45078970
2,2,2-trifluoroethyl 2-(2-amino-4-methylphenyl)acetate
CID 99991426
2-(cycloheptylmethyl)-5-methylaniline
CID 105471815
2-(chloromethyl)-5-methylbenzoic acid
CID 91883401
butane;4-methylbenzene-1,2-diamine
CID 138693326
2-(2-amino-4-methylphenyl)-N-cyclopentylacetamide
CID 99991566
1-(chloromethyl)-2-(4-chlorophenyl)-4-methylbenzene
CID 170552811
2-(chloromethyl)-4-methyl-1-(4-methylphenyl)benzene;ethane
CID 178006479
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline
CID 155655100
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
2-[(3-fluorophenyl)methyl]-5-methylaniline
CID 105468725

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methylaniline?
The IUPAC name of 2-(chloromethyl)-5-methylaniline (CID 91883475) is 2-(chloromethyl)-5-methylaniline.
What is the SMILES notation for 2-(chloromethyl)-5-methylaniline?
The canonical SMILES for 2-(chloromethyl)-5-methylaniline is Cc1ccc(CCl)c(N)c1.
What is the InChIKey of 2-(chloromethyl)-5-methylaniline?
The InChIKey is KVWNBDSXPHDTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,5,10H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methylaniline?
2-(chloromethyl)-5-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 2-(chloromethyl)-5-methylaniline is sourced from PubChem (CID 91883475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).