2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine

C15H16Cl2N2 — CID 117048430

IUPAC2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine
SMILESCC(CN)(Cc1cccnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-15(10-18,8-11-3-2-6-19-9-11)13-7-12(16)4-5-14(13)17/h2-7,9H,8,10,18H2,1H3
InChIKeyJXUNYVCVDKCLNB-UHFFFAOYSA-N
MW295.21 g/mol
LogP3.85
Rot. Bonds4

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

2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine (PubChem CID 117048430) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine
PubChem CID117048430
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine
SMILESCC(CN)(Cc1cccnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-15(10-18,8-11-3-2-6-19-9-11)13-7-12(16)4-5-14(13)17/h2-7,9H,8,10,18H2,1H3
InChIKeyJXUNYVCVDKCLNB-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-2-methyl-3-phenylpropan-1-amine
CID 117048216
2-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile
CID 117048447
2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048305
(2S)-2-methyl-2-naphthalen-2-yl-3-pyridin-3-ylpropan-1-amine
CID 118675585
2-(3-chlorophenyl)-1-pyridin-3-ylpropan-2-amine
CID 104735876
3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529
4-(1-amino-2-methyl-3-pyridin-3-ylpropan-2-yl)benzonitrile
CID 117048448
1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol
CID 104735827
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-4-ylpropanoyl chloride
CID 117049122
4-pyridin-3-yl-3-(pyridin-3-ylmethyl)butane-1,3-diamine
CID 174709690

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine (CID 117048430) is 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine is CC(CN)(Cc1cccnc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine?
The InChIKey is JXUNYVCVDKCLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-15(10-18,8-11-3-2-6-19-9-11)13-7-12(16)4-5-14(13)17/h2-7,9H,8,10,18H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine?
2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine has a molecular weight of 295.21 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 117048430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).