2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine

C17H19Cl2N — CID 107309626

IUPAC2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CC(CN)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2N/c1-12-5-2-3-6-14(12)9-13(11-20)10-15-7-4-8-16(18)17(15)19/h2-8,13H,9-11,20H2,1H3
InChIKeyKCNVJCJOGMAQLZ-UHFFFAOYSA-N
MW308.25 g/mol
LogP4.66
Rot. Bonds5

About 2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine

2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine (PubChem CID 107309626) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
PubChem CID107309626
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CC(CN)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2N/c1-12-5-2-3-6-14(12)9-13(11-20)10-15-7-4-8-16(18)17(15)19/h2-8,13H,9-11,20H2,1H3
InChIKeyKCNVJCJOGMAQLZ-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 102858638
2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 107309627
(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
CID 95001596
2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309618
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309624
1-chloro-2-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66049897
2-[(4-ethylphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 63496886
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380
2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057630

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine (CID 107309626) is 2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine is Cc1ccccc1CC(CN)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
The InChIKey is KCNVJCJOGMAQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-12-5-2-3-6-14(12)9-13(11-20)10-15-7-4-8-16(18)17(15)19/h2-8,13H,9-11,20H2,1H3.
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 107309626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).