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

C16H16Cl3N — CID 107309628

IUPAC2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1Cl)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl3N/c17-14-6-2-1-4-12(14)8-11(10-20)9-13-5-3-7-15(18)16(13)19/h1-7,11H,8-10,20H2
InChIKeyMKNJINOUBFBTQC-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.01
Rot. Bonds5

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

2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine (PubChem CID 107309628) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
PubChem CID107309628
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC Name2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1Cl)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl3N/c17-14-6-2-1-4-12(14)8-11(10-20)9-13-5-3-7-15(18)16(13)19/h1-7,11H,8-10,20H2
InChIKeyMKNJINOUBFBTQC-UHFFFAOYSA-N
XLogP5.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 107309626
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
2-benzyl-3-(2-chlorophenyl)propan-1-amine
CID 62504845
2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309624
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63496346
2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 115984177
2-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 62528407
2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine
CID 83169265
2-[(2-chlorophenyl)methyl]heptan-1-amine
CID 63497774

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine (CID 107309628) is 2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine is NCC(Cc1ccccc1Cl)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine?
The InChIKey is MKNJINOUBFBTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c17-14-6-2-1-4-12(14)8-11(10-20)9-13-5-3-7-15(18)16(13)19/h1-7,11H,8-10,20H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine?
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine has a molecular weight of 328.67 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 107309628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).