N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine

C11H15Cl2N — CID 4722400

IUPACN-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2N/c1-8(2)6-14-7-9-3-4-10(12)11(13)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyRIXQXYSSUOUZBQ-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.74
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine

N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine (PubChem CID 4722400) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
PubChem CID4722400
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2N/c1-8(2)6-14-7-9-3-4-10(12)11(13)5-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyRIXQXYSSUOUZBQ-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine (CID 4722400) is N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is RIXQXYSSUOUZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-8(2)6-14-7-9-3-4-10(12)11(13)5-9/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine?
N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 232.15 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 4722400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).