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

C16H17Cl2N — CID 63417262

IUPAC1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2N/c1-19-15(11-10-12-6-3-2-4-7-12)13-8-5-9-14(17)16(13)18/h2-9,15,19H,10-11H2,1H3
InChIKeyTUARMHHUJLDKED-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.89
Rot. Bonds5

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

1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 63417262) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
PubChem CID63417262
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2N/c1-19-15(11-10-12-6-3-2-4-7-12)13-8-5-9-14(17)16(13)18/h2-9,15,19H,10-11H2,1H3
InChIKeyTUARMHHUJLDKED-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

1-(2,3-dichlorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105141888
1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794403
(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 94343262
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105099694
1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794483
1-(2,3-dichlorophenyl)-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 114079767
N-[1-(2,3-dichlorophenyl)-3-phenylpropyl]-4,5-dihydro-1H-imidazol-2-amine
CID 44515598
1-(2-chloro-3-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 115794374
1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916
[1-(2-chlorophenyl)-3-phenylpropyl]hydrazine
CID 105205580
1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 105094223

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine (CID 63417262) is 1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is TUARMHHUJLDKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-19-15(11-10-12-6-3-2-4-7-12)13-8-5-9-14(17)16(13)18/h2-9,15,19H,10-11H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine?
1-(2,3-dichlorophenyl)-N-methyl-3-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 1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 63417262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).