3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine

C15H15Cl2N — CID 65431893

IUPAC3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine
SMILESNCC(Cc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H15Cl2N/c16-14-6-7-15(17)12(9-14)8-13(10-18)11-4-2-1-3-5-11/h1-7,9,13H,8,10,18H2
InChIKeyBSSGBDRBTWKVJI-UHFFFAOYSA-N
MW280.20 g/mol
LogP4.28
Rot. Bonds4

About 3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine

3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine (PubChem CID 65431893) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine
PubChem CID65431893
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine
SMILESNCC(Cc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H15Cl2N/c16-14-6-7-15(17)12(9-14)8-13(10-18)11-4-2-1-3-5-11/h1-7,9,13H,8,10,18H2
InChIKeyBSSGBDRBTWKVJI-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,5-dichlorophenyl)-2-phenylpropan-1-ol
CID 66059419
3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine
CID 114013903
4-(5-chloro-2-fluorophenyl)-2-phenylbutan-1-amine
CID 103051753
1,4-dichloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 104846458
2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 65318187
1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79455159
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine
CID 79448884
3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 114858839
[(1S)-2-(2,5-dichlorophenyl)-1-phenylethyl] thiocyanate
CID 2303123
3-(2-chloro-5-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 102619951
3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 79443118
3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 79437313

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine (CID 65431893) is 3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine is NCC(Cc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine?
The InChIKey is BSSGBDRBTWKVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c16-14-6-7-15(17)12(9-14)8-13(10-18)11-4-2-1-3-5-11/h1-7,9,13H,8,10,18H2.
What are the key properties of 3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine?
3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine has a molecular weight of 280.20 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine is sourced from PubChem (CID 65431893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).