[3-(2-chloropropan-2-yl)phenyl]methanamine

C10H14ClN — CID 174940258

IUPAC[3-(2-chloropropan-2-yl)phenyl]methanamine
SMILESCC(C)(Cl)c1cccc(CN)c1
InChIInChI=1S/C10H14ClN/c1-10(2,11)9-5-3-4-8(6-9)7-12/h3-6H,7,12H2,1-2H3
InChIKeyULNQXEXQKPQCIB-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.62
Rot. Bonds2

About [3-(2-chloropropan-2-yl)phenyl]methanamine

[3-(2-chloropropan-2-yl)phenyl]methanamine (PubChem CID 174940258) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is [3-(2-chloropropan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-chloropropan-2-yl)phenyl]methanamine
PubChem CID174940258
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name[3-(2-chloropropan-2-yl)phenyl]methanamine
SMILESCC(C)(Cl)c1cccc(CN)c1
InChIInChI=1S/C10H14ClN/c1-10(2,11)9-5-3-4-8(6-9)7-12/h3-6H,7,12H2,1-2H3
InChIKeyULNQXEXQKPQCIB-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115026580
[3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine
CID 115036313
phenylmethanamine;2-phenylpropan-2-amine;hydrochloride
CID 174901598
[3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine
CID 115044421
1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol
CID 115018710
[3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine
CID 150028791
2,2-dimethylpropane;phenylmethanamine
CID 158787980
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
[3-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110763
[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride
CID 126802306

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloropropan-2-yl)phenyl]methanamine?
The IUPAC name of [3-(2-chloropropan-2-yl)phenyl]methanamine (CID 174940258) is [3-(2-chloropropan-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(2-chloropropan-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(2-chloropropan-2-yl)phenyl]methanamine is CC(C)(Cl)c1cccc(CN)c1.
What is the InChIKey of [3-(2-chloropropan-2-yl)phenyl]methanamine?
The InChIKey is ULNQXEXQKPQCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-10(2,11)9-5-3-4-8(6-9)7-12/h3-6H,7,12H2,1-2H3.
What are the key properties of [3-(2-chloropropan-2-yl)phenyl]methanamine?
[3-(2-chloropropan-2-yl)phenyl]methanamine has a molecular weight of 183.68 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloropropan-2-yl)phenyl]methanamine is sourced from PubChem (CID 174940258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).