1-(3,4-dichlorophenyl)-2-methylpropan-1-amine

C10H13Cl2N — CID 12559049

IUPAC1-(3,4-dichlorophenyl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,10H,13H2,1-2H3
InChIKeyGBHNWWAAJIPAFF-UHFFFAOYSA-N
MW218.13 g/mol
LogP3.65
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-2-methylpropan-1-amine

1-(3,4-dichlorophenyl)-2-methylpropan-1-amine (PubChem CID 12559049) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-methylpropan-1-amine
PubChem CID12559049
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name1-(3,4-dichlorophenyl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,10H,13H2,1-2H3
InChIKeyGBHNWWAAJIPAFF-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-methylpropan-1-amine (CID 12559049) is 1-(3,4-dichlorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-methylpropan-1-amine is CC(C)C(N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-methylpropan-1-amine?
The InChIKey is GBHNWWAAJIPAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6,10H,13H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-methylpropan-1-amine?
1-(3,4-dichlorophenyl)-2-methylpropan-1-amine has a molecular weight of 218.13 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 12559049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).