chloro-(2,4,6-trimethylphenyl)methanamine

C10H14ClN — CID 116947745

IUPACchloro-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)Cl)c(C)c1
InChIInChI=1S/C10H14ClN/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5,10H,12H2,1-3H3
InChIKeyAABPHKFYJSRKSX-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.81
Rot. Bonds1

About chloro-(2,4,6-trimethylphenyl)methanamine

chloro-(2,4,6-trimethylphenyl)methanamine (PubChem CID 116947745) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is chloro-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Namechloro-(2,4,6-trimethylphenyl)methanamine
PubChem CID116947745
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Namechloro-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)Cl)c(C)c1
InChIInChI=1S/C10H14ClN/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5,10H,12H2,1-3H3
InChIKeyAABPHKFYJSRKSX-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
2-methyl-4-(2,4,6-trimethylphenyl)pentan-3-amine
CID 79298168
1-(2,4,6-trimethylphenyl)prop-2-en-1-amine
CID 55282598
2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 116939016
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanamine
CID 43102640
(1-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanamine
CID 82282690
2-(1-chloro-3-methylbutyl)-1,3,5-trimethylbenzene
CID 63431896
N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820
2-[(1R)-1-aminoethyl]-3,5-dimethylphenol
CID 55276249
2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 84783100
bis[2-amino-2-(2,4,6-trimethylphenyl)ethyl]azanide;dichloromanganese
CID 66808819

Frequently Asked Questions

What is the IUPAC name of chloro-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of chloro-(2,4,6-trimethylphenyl)methanamine (CID 116947745) is chloro-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for chloro-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for chloro-(2,4,6-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)Cl)c(C)c1.
What is the InChIKey of chloro-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is AABPHKFYJSRKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5,10H,12H2,1-3H3.
What are the key properties of chloro-(2,4,6-trimethylphenyl)methanamine?
chloro-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 183.68 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 116947745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).