5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine

C18H22ClN3 — CID 134202982

IUPAC5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine
SMILESCc1cc(-c2ccc(CN3CCCC3C)cc2Cl)cnc1N
InChIInChI=1S/C18H22ClN3/c1-12-8-15(10-21-18(12)20)16-6-5-14(9-17(16)19)11-22-7-3-4-13(22)2/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H2,20,21)
InChIKeyDUSXIJPDYDOCLY-UHFFFAOYSA-N
MW315.85 g/mol
LogP4.28
Rot. Bonds3

About 5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine

5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine (PubChem CID 134202982) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is 5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine
PubChem CID134202982
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC Name5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine
SMILESCc1cc(-c2ccc(CN3CCCC3C)cc2Cl)cnc1N
InChIInChI=1S/C18H22ClN3/c1-12-8-15(10-21-18(12)20)16-6-5-14(9-17(16)19)11-22-7-3-4-13(22)2/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H2,20,21)
InChIKeyDUSXIJPDYDOCLY-UHFFFAOYSA-N
XLogP4.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 174338467
2-amino-N-(4-hydroxy-4-methylcyclohexyl)-5-[2-methyl-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 134202911
2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 62471451
[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 102662791
1-[(3,5-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 23566973
6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348464
[4-[(2-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888634
5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine
CID 83171115
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
4-(3,5-dichloro-4-methylphenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 130211597
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine
CID 155911587

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine (CID 134202982) is 5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine is Cc1cc(-c2ccc(CN3CCCC3C)cc2Cl)cnc1N.
What is the InChIKey of 5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine?
The InChIKey is DUSXIJPDYDOCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3/c1-12-8-15(10-21-18(12)20)16-6-5-14(9-17(16)19)11-22-7-3-4-13(22)2/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H2,20,21).
What are the key properties of 5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine?
5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine has a molecular weight of 315.85 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 134202982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).