N-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine

C17H19Cl2N — CID 173183544

IUPACN-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1ccc(Cl)c(Cl)c1-c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-12(2)20(3)11-14-9-10-15(18)17(19)16(14)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3
InChIKeyZZDZKWQYMPBDJL-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.50
Rot. Bonds4

About N-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine

N-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine (PubChem CID 173183544) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine
PubChem CID173183544
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC NameN-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1ccc(Cl)c(Cl)c1-c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-12(2)20(3)11-14-9-10-15(18)17(19)16(14)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3
InChIKeyZZDZKWQYMPBDJL-UHFFFAOYSA-N
XLogP5.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine (CID 173183544) is N-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine is CC(C)N(C)Cc1ccc(Cl)c(Cl)c1-c1ccccc1.
What is the InChIKey of N-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine?
The InChIKey is ZZDZKWQYMPBDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-12(2)20(3)11-14-9-10-15(18)17(19)16(14)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3.
What are the key properties of N-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine?
N-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine has a molecular weight of 308.25 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichloro-2-phenylphenyl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 173183544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).