2-(4-chloro-2-methylphenyl)propan-2-amine

C10H14ClN — CID 82280968

IUPAC2-(4-chloro-2-methylphenyl)propan-2-amine
SMILESCc1cc(Cl)ccc1C(C)(C)N
InChIInChI=1S/C10H14ClN/c1-7-6-8(11)4-5-9(7)10(2,3)12/h4-6H,12H2,1-3H3
InChIKeyIFRZXVOERFRUEV-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.84
Rot. Bonds1

About 2-(4-chloro-2-methylphenyl)propan-2-amine

2-(4-chloro-2-methylphenyl)propan-2-amine (PubChem CID 82280968) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)propan-2-amine
PubChem CID82280968
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name2-(4-chloro-2-methylphenyl)propan-2-amine
SMILESCc1cc(Cl)ccc1C(C)(C)N
InChIInChI=1S/C10H14ClN/c1-7-6-8(11)4-5-9(7)10(2,3)12/h4-6H,12H2,1-3H3
InChIKeyIFRZXVOERFRUEV-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)propan-2-amine?
The IUPAC name of 2-(4-chloro-2-methylphenyl)propan-2-amine (CID 82280968) is 2-(4-chloro-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)propan-2-amine is Cc1cc(Cl)ccc1C(C)(C)N.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)propan-2-amine?
The InChIKey is IFRZXVOERFRUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-7-6-8(11)4-5-9(7)10(2,3)12/h4-6H,12H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methylphenyl)propan-2-amine?
2-(4-chloro-2-methylphenyl)propan-2-amine has a molecular weight of 183.68 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 82280968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).