5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine

C17H22ClN3 — CID 62207430

IUPAC5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN(C)Cc2ccccc2Cl)cn1
InChIInChI=1S/C17H22ClN3/c1-3-10-19-17-9-8-14(11-20-17)12-21(2)13-15-6-4-5-7-16(15)18/h4-9,11H,3,10,12-13H2,1-2H3,(H,19,20)
InChIKeyFKYUHTWJBMSAMJ-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.19
Rot. Bonds7

About 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine

5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine (PubChem CID 62207430) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
PubChem CID62207430
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN(C)Cc2ccccc2Cl)cn1
InChIInChI=1S/C17H22ClN3/c1-3-10-19-17-9-8-14(11-20-17)12-21(2)13-15-6-4-5-7-16(15)18/h4-9,11H,3,10,12-13H2,1-2H3,(H,19,20)
InChIKeyFKYUHTWJBMSAMJ-UHFFFAOYSA-N
XLogP4.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 62183942
5-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62183438
6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
CID 79234167
N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
CID 63698946
5-[(2-fluoro-N-methylanilino)methyl]-N-propylpyridin-2-amine
CID 62209615
5-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55046066
5-[(N,2-dimethylanilino)methyl]-N-propylpyridin-2-amine
CID 62209613
5-[(dipropylamino)methyl]-N-propylpyridin-2-amine
CID 62183383
5-[[cyclobutylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62861753
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N-methyl-5-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pyridin-2-amine
CID 55046136
5-chloro-6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
CID 62892052

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine (CID 62207430) is 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine is CCCNc1ccc(CN(C)Cc2ccccc2Cl)cn1.
What is the InChIKey of 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine?
The InChIKey is FKYUHTWJBMSAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-3-10-19-17-9-8-14(11-20-17)12-21(2)13-15-6-4-5-7-16(15)18/h4-9,11H,3,10,12-13H2,1-2H3,(H,19,20).
What are the key properties of 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine?
5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine has a molecular weight of 303.84 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-chlorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62207430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).