[5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine

C16H18ClN — CID 66157888

IUPAC[5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine
SMILESCc1cc(C)c(-c2ccc(Cl)cc2CN)c(C)c1
InChIInChI=1S/C16H18ClN/c1-10-6-11(2)16(12(3)7-10)15-5-4-14(17)8-13(15)9-18/h4-8H,9,18H2,1-3H3
InChIKeyAHTIDGWWXUXHIE-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.39
Rot. Bonds2

About [5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine

[5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine (PubChem CID 66157888) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is [5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine
PubChem CID66157888
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name[5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine
SMILESCc1cc(C)c(-c2ccc(Cl)cc2CN)c(C)c1
InChIInChI=1S/C16H18ClN/c1-10-6-11(2)16(12(3)7-10)15-5-4-14(17)8-13(15)9-18/h4-8H,9,18H2,1-3H3
InChIKeyAHTIDGWWXUXHIE-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine (CID 66157888) is [5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine is Cc1cc(C)c(-c2ccc(Cl)cc2CN)c(C)c1.
What is the InChIKey of [5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine?
The InChIKey is AHTIDGWWXUXHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-10-6-11(2)16(12(3)7-10)15-5-4-14(17)8-13(15)9-18/h4-8H,9,18H2,1-3H3.
What are the key properties of [5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine?
[5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine has a molecular weight of 259.78 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2,4,6-trimethylphenyl)phenyl]methanamine is sourced from PubChem (CID 66157888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).