3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine

C19H24ClN3 — CID 155911587

IUPAC3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine
SMILESC[C@@H]1CCCN1Cc1ccc(-c2cccnc2N(C)C)cc1Cl
InChIInChI=1S/C19H24ClN3/c1-14-6-5-11-23(14)13-16-9-8-15(12-18(16)20)17-7-4-10-21-19(17)22(2)3/h4,7-10,12,14H,5-6,11,13H2,1-3H3/t14-/m1/s1
InChIKeyDCRYPNPBFLGTTI-CQSZACIVSA-N
MW329.88 g/mol
LogP4.45
Rot. Bonds4

About 3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine

3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine (PubChem CID 155911587) has the molecular formula C19H24ClN3 and a molecular weight of 329.88 g/mol. Its IUPAC name is 3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine
PubChem CID155911587
Molecular FormulaC19H24ClN3
Molecular Weight329.88 g/mol
Exact Mass329.17
IUPAC Name3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine
SMILESC[C@@H]1CCCN1Cc1ccc(-c2cccnc2N(C)C)cc1Cl
InChIInChI=1S/C19H24ClN3/c1-14-6-5-11-23(14)13-16-9-8-15(12-18(16)20)17-7-4-10-21-19(17)22(2)3/h4,7-10,12,14H,5-6,11,13H2,1-3H3/t14-/m1/s1
InChIKeyDCRYPNPBFLGTTI-CQSZACIVSA-N
XLogP4.45
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.88
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine (CID 155911587) is 3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine is C[C@@H]1CCCN1Cc1ccc(-c2cccnc2N(C)C)cc1Cl.
What is the InChIKey of 3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is DCRYPNPBFLGTTI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24ClN3/c1-14-6-5-11-23(14)13-16-9-8-15(12-18(16)20)17-7-4-10-21-19(17)22(2)3/h4,7-10,12,14H,5-6,11,13H2,1-3H3/t14-/m1/s1.
What are the key properties of 3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine?
3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 329.88 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 155911587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).