2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine

C16H17Cl2N — CID 107309611

IUPAC2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2N/c17-15-8-4-7-14(16(15)18)10-13(11-19)9-12-5-2-1-3-6-12/h1-8,13H,9-11,19H2
InChIKeyZDRCTVSQFUIVFR-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.35
Rot. Bonds5

About 2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine

2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine (PubChem CID 107309611) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
PubChem CID107309611
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2N/c17-15-8-4-7-14(16(15)18)10-13(11-19)9-12-5-2-1-3-6-12/h1-8,13H,9-11,19H2
InChIKeyZDRCTVSQFUIVFR-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309618
2-benzyl-3-(2-chlorophenyl)propan-1-amine
CID 62504845
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol
CID 107310710
2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309624
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
2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine
CID 107309633
(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
CID 95001596
2-benzyl-3-phenylpropan-1-amine;hydrochloride
CID 75481010
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63496346
2-benzyl-3-(2,3-difluorophenyl)propan-1-amine
CID 55083934

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine?
The IUPAC name of 2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine (CID 107309611) is 2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine.
What is the SMILES notation for 2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine?
The canonical SMILES for 2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine is NCC(Cc1ccccc1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine?
The InChIKey is ZDRCTVSQFUIVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c17-15-8-4-7-14(16(15)18)10-13(11-19)9-12-5-2-1-3-6-12/h1-8,13H,9-11,19H2.
What are the key properties of 2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine?
2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine has a molecular weight of 294.23 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 107309611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).