[3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine

C17H20ClN — CID 39233059

IUPAC[3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine
SMILESCC(C)(C)c1ccc(-c2cc(CN)ccc2Cl)cc1
InChIInChI=1S/C17H20ClN/c1-17(2,3)14-7-5-13(6-8-14)15-10-12(11-19)4-9-16(15)18/h4-10H,11,19H2,1-3H3
InChIKeySOZJNAYJSCSQKG-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.76
Rot. Bonds2

About [3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine

[3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine (PubChem CID 39233059) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is [3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine.

Molecular Properties

Compound Name[3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine
PubChem CID39233059
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name[3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine
SMILESCC(C)(C)c1ccc(-c2cc(CN)ccc2Cl)cc1
InChIInChI=1S/C17H20ClN/c1-17(2,3)14-7-5-13(6-8-14)15-10-12(11-19)4-9-16(15)18/h4-10H,11,19H2,1-3H3
InChIKeySOZJNAYJSCSQKG-UHFFFAOYSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine?
The IUPAC name of [3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine (CID 39233059) is [3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine.
What is the SMILES notation for [3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine?
The canonical SMILES for [3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine is CC(C)(C)c1ccc(-c2cc(CN)ccc2Cl)cc1.
What is the InChIKey of [3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine?
The InChIKey is SOZJNAYJSCSQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-17(2,3)14-7-5-13(6-8-14)15-10-12(11-19)4-9-16(15)18/h4-10H,11,19H2,1-3H3.
What are the key properties of [3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine?
[3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine has a molecular weight of 273.81 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine is sourced from PubChem (CID 39233059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).