2-[4-(chloromethyl)phenyl]propan-2-amine

C10H14ClN — CID 59036777

IUPAC2-[4-(chloromethyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(CCl)cc1
InChIInChI=1S/C10H14ClN/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-6H,7,12H2,1-2H3
InChIKeyQKFWKTWQUZNLSG-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.62
Rot. Bonds2

About 2-[4-(chloromethyl)phenyl]propan-2-amine

2-[4-(chloromethyl)phenyl]propan-2-amine (PubChem CID 59036777) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 2-[4-(chloromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(chloromethyl)phenyl]propan-2-amine
PubChem CID59036777
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name2-[4-(chloromethyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(CCl)cc1
InChIInChI=1S/C10H14ClN/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-6H,7,12H2,1-2H3
InChIKeyQKFWKTWQUZNLSG-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[4-(chloromethyl)phenyl]propan-2-amine (CID 59036777) is 2-[4-(chloromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-(chloromethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-(chloromethyl)phenyl]propan-2-amine is CC(C)(N)c1ccc(CCl)cc1.
What is the InChIKey of 2-[4-(chloromethyl)phenyl]propan-2-amine?
The InChIKey is QKFWKTWQUZNLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-6H,7,12H2,1-2H3.
What are the key properties of 2-[4-(chloromethyl)phenyl]propan-2-amine?
2-[4-(chloromethyl)phenyl]propan-2-amine 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 2-[4-(chloromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 59036777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).