N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine

C19H25N3 — CID 124756986

IUPACN-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)C[C@@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C19H25N3/c1-21(13-11-18-7-5-6-12-20-18)15-17-10-14-22(16-17)19-8-3-2-4-9-19/h2-9,12,17H,10-11,13-16H2,1H3/t17-/m0/s1
InChIKeyVCSHSPWDGBIPOC-KRWDZBQOSA-N
MW295.43 g/mol
LogP3.08
Rot. Bonds6

About N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine

N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine (PubChem CID 124756986) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine
PubChem CID124756986
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)C[C@@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C19H25N3/c1-21(13-11-18-7-5-6-12-20-18)15-17-10-14-22(16-17)19-8-3-2-4-9-19/h2-9,12,17H,10-11,13-16H2,1H3/t17-/m0/s1
InChIKeyVCSHSPWDGBIPOC-KRWDZBQOSA-N
XLogP3.08
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 99943025
N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine
CID 134696967
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 70713449
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)methanamine
CID 135114283
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 63274981
N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 99929262
N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 131906546
3-[2-[methyl-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]amino]ethyl]-1H-imidazol-2-one
CID 124757557
N-methyl-2-pyridin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 28599662
1-phenyl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 103775425
N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-2-pyridin-2-ylethanamine
CID 79385131
2,2-dimethyl-5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopentan-1-ol
CID 79856114

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine (CID 124756986) is N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine is CN(CCc1ccccn1)C[C@@H]1CCN(c2ccccc2)C1.
What is the InChIKey of N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine?
The InChIKey is VCSHSPWDGBIPOC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3/c1-21(13-11-18-7-5-6-12-20-18)15-17-10-14-22(16-17)19-8-3-2-4-9-19/h2-9,12,17H,10-11,13-16H2,1H3/t17-/m0/s1.
What are the key properties of N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine?
N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine has a molecular weight of 295.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 124756986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).