3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine

C16H17Cl2N — CID 63400103

IUPAC3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine
SMILESCNC(CCc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H17Cl2N/c1-19-16(13-5-3-2-4-6-13)10-8-12-7-9-14(17)15(18)11-12/h2-7,9,11,16,19H,8,10H2,1H3
InChIKeyGSGMEVOPHYLLIT-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.89
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine

3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine (PubChem CID 63400103) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine
PubChem CID63400103
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine
SMILESCNC(CCc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H17Cl2N/c1-19-16(13-5-3-2-4-6-13)10-8-12-7-9-14(17)15(18)11-12/h2-7,9,11,16,19H,8,10H2,1H3
InChIKeyGSGMEVOPHYLLIT-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-3-naphthalen-2-yl-1-phenylpropan-1-amine
CID 64500131
1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794283
1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 107991975
1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105076807
3-(3-methoxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 54891056
3-(5-bromo-3-pyridinyl)-N-methyl-1-phenylpropan-1-amine
CID 104799839
[2-(3,4-dichlorophenyl)-1-phenylethyl]hydrazine
CID 105199186
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 43480559
1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63415410
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene
CID 64506775
N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
CID 63413061

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine (CID 63400103) is 3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine is CNC(CCc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine?
The InChIKey is GSGMEVOPHYLLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-19-16(13-5-3-2-4-6-13)10-8-12-7-9-14(17)15(18)11-12/h2-7,9,11,16,19H,8,10H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine?
3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine has a molecular weight of 294.23 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 63400103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).