2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine

C11H16ClN — CID 83699417

IUPAC2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine
SMILESCc1cc(Cl)cc(C(C)(C)CN)c1
InChIInChI=1S/C11H16ClN/c1-8-4-9(6-10(12)5-8)11(2,3)7-13/h4-6H,7,13H2,1-3H3
InChIKeyOYGVZSJXQWVNOF-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.88
Rot. Bonds2

About 2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine

2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine (PubChem CID 83699417) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine
PubChem CID83699417
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine
SMILESCc1cc(Cl)cc(C(C)(C)CN)c1
InChIInChI=1S/C11H16ClN/c1-8-4-9(6-10(12)5-8)11(2,3)7-13/h4-6H,7,13H2,1-3H3
InChIKeyOYGVZSJXQWVNOF-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine (CID 83699417) is 2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine is Cc1cc(Cl)cc(C(C)(C)CN)c1.
What is the InChIKey of 2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine?
The InChIKey is OYGVZSJXQWVNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-8-4-9(6-10(12)5-8)11(2,3)7-13/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine?
2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine has a molecular weight of 197.71 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 83699417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).