1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine

C15H16Cl2N2 — CID 105076807

IUPAC1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
SMILESCNC(CCc1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c1-18-15(7-4-11-3-2-8-19-10-11)12-5-6-13(16)14(17)9-12/h2-3,5-6,8-10,15,18H,4,7H2,1H3
InChIKeyHJYVLLNNSVQDNS-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.28
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine (PubChem CID 105076807) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
PubChem CID105076807
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
SMILESCNC(CCc1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c1-18-15(7-4-11-3-2-8-19-10-11)12-5-6-13(16)14(17)9-12/h2-3,5-6,8-10,15,18H,4,7H2,1H3
InChIKeyHJYVLLNNSVQDNS-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(3-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105090642
1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105140459
1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105099694
1-(4-chloro-3-methoxyphenyl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105164610
1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794283
3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine
CID 63400103
1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 107991975
3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64814917
N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 105162051
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 106883832
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949498

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine (CID 105076807) is 1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine is CNC(CCc1cccnc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
The InChIKey is HJYVLLNNSVQDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-18-15(7-4-11-3-2-8-19-10-11)12-5-6-13(16)14(17)9-12/h2-3,5-6,8-10,15,18H,4,7H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine has a molecular weight of 295.21 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105076807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).