3-(4-chlorophenyl)-2-methylbutan-2-amine

C11H16ClN — CID 82398516

IUPAC3-(4-chlorophenyl)-2-methylbutan-2-amine
SMILESCC(c1ccc(Cl)cc1)C(C)(C)N
InChIInChI=1S/C11H16ClN/c1-8(11(2,3)13)9-4-6-10(12)7-5-9/h4-8H,13H2,1-3H3
InChIKeySEUZVEMPIVJTFI-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.18
Rot. Bonds2

About 3-(4-chlorophenyl)-2-methylbutan-2-amine

3-(4-chlorophenyl)-2-methylbutan-2-amine (PubChem CID 82398516) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methylbutan-2-amine
PubChem CID82398516
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name3-(4-chlorophenyl)-2-methylbutan-2-amine
SMILESCC(c1ccc(Cl)cc1)C(C)(C)N
InChIInChI=1S/C11H16ClN/c1-8(11(2,3)13)9-4-6-10(12)7-5-9/h4-8H,13H2,1-3H3
InChIKeySEUZVEMPIVJTFI-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methylbutan-2-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-methylbutan-2-amine (CID 82398516) is 3-(4-chlorophenyl)-2-methylbutan-2-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methylbutan-2-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-methylbutan-2-amine is CC(c1ccc(Cl)cc1)C(C)(C)N.
What is the InChIKey of 3-(4-chlorophenyl)-2-methylbutan-2-amine?
The InChIKey is SEUZVEMPIVJTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-8(11(2,3)13)9-4-6-10(12)7-5-9/h4-8H,13H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-2-methylbutan-2-amine?
3-(4-chlorophenyl)-2-methylbutan-2-amine has a molecular weight of 197.71 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methylbutan-2-amine is sourced from PubChem (CID 82398516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).