N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine

C17H22ClN3 — CID 105073225

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
SMILESCC(C)NCc1ccncc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H22ClN3/c1-13(2)20-10-15-7-8-19-11-17(15)21(3)12-14-5-4-6-16(18)9-14/h4-9,11,13,20H,10,12H2,1-3H3
InChIKeyQLAONYHNALOTOF-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.87
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine

N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine (PubChem CID 105073225) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
PubChem CID105073225
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
SMILESCC(C)NCc1ccncc1N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H22ClN3/c1-13(2)20-10-15-7-8-19-11-17(15)21(3)12-14-5-4-6-16(18)9-14/h4-9,11,13,20H,10,12H2,1-3H3
InChIKeyQLAONYHNALOTOF-UHFFFAOYSA-N
XLogP3.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81246803
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563622
2-chloro-N-methyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 81147194
N-methyl-4-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-3-amine
CID 105074309
4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 105073020
N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072825
N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43280656
N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523
N-[(4-chlorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073646
N-benzyl-4-(chloromethyl)-N-methylpyridin-3-amine
CID 105067251
N-(3,3-dimethylbutan-2-yl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073184
4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073052

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine (CID 105073225) is N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine is CC(C)NCc1ccncc1N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
The InChIKey is QLAONYHNALOTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-13(2)20-10-15-7-8-19-11-17(15)21(3)12-14-5-4-6-16(18)9-14/h4-9,11,13,20H,10,12H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine?
N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine has a molecular weight of 303.84 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 105073225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).