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

C16H17Cl2N — CID 117048216

IUPAC2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine
SMILESCC(CN)(Cc1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2N/c1-16(11-19,10-12-5-3-2-4-6-12)14-9-13(17)7-8-15(14)18/h2-9H,10-11,19H2,1H3
InChIKeyMWEOCOYKEJXRCO-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.45
Rot. Bonds4

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

2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine (PubChem CID 117048216) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine
PubChem CID117048216
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine
SMILESCC(CN)(Cc1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2N/c1-16(11-19,10-12-5-3-2-4-6-12)14-9-13(17)7-8-15(14)18/h2-9H,10-11,19H2,1H3
InChIKeyMWEOCOYKEJXRCO-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine
CID 117048430
2-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-amine
CID 117048225
2-(1-amino-2-methyl-3-phenylpropan-2-yl)-4-fluoroaniline
CID 117048235
1-(2,5-dichlorophenyl)-1-phenylethanol
CID 62786924
2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride
CID 117048262
2-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 117048230
(2S)-2-(2,5-dichlorophenyl)butan-2-amine
CID 130054976
2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-2-amine
CID 60797835
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
CID 117049122
2-(2-chlorophenyl)-1-phenylpropan-2-ol
CID 43810130
2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol
CID 79008245
2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine
CID 83835796

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine?
The IUPAC name of 2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine (CID 117048216) is 2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine is CC(CN)(Cc1ccccc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine?
The InChIKey is MWEOCOYKEJXRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-16(11-19,10-12-5-3-2-4-6-12)14-9-13(17)7-8-15(14)18/h2-9H,10-11,19H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine?
2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine has a molecular weight of 294.23 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 117048216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).