N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine

C19H25N3O — CID 129340589

IUPACN-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
SMILESCOc1ccccc1CN(Cc1cccnc1)C[C@H]1CCNC1
InChIInChI=1S/C19H25N3O/c1-23-19-7-3-2-6-18(19)15-22(14-17-8-10-21-12-17)13-16-5-4-9-20-11-16/h2-7,9,11,17,21H,8,10,12-15H2,1H3/t17-/m0/s1
InChIKeyQERSLKIAGKJXBA-KRWDZBQOSA-N
MW311.43 g/mol
LogP2.70
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine

N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine (PubChem CID 129340589) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
PubChem CID129340589
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
SMILESCOc1ccccc1CN(Cc1cccnc1)C[C@H]1CCNC1
InChIInChI=1S/C19H25N3O/c1-23-19-7-3-2-6-18(19)15-22(14-17-8-10-21-12-17)13-16-5-4-9-20-11-16/h2-7,9,11,17,21H,8,10,12-15H2,1H3/t17-/m0/s1
InChIKeyQERSLKIAGKJXBA-KRWDZBQOSA-N
XLogP2.70
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246
N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129339021
2-ethylsulfonyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)ethanamine;hydrochloride
CID 128973446
N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 129336675
N-[(1-methylbenzimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129333059
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 129005760
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 167832608
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528
N-(1H-benzimidazol-2-ylmethyl)-N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 46983929
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-[(2-methoxyphenyl)methyl]-N-[(2-propan-2-ylpyrimidin-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 46986491

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine (CID 129340589) is N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine is COc1ccccc1CN(Cc1cccnc1)C[C@H]1CCNC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine?
The InChIKey is QERSLKIAGKJXBA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O/c1-23-19-7-3-2-6-18(19)15-22(14-17-8-10-21-12-17)13-16-5-4-9-20-11-16/h2-7,9,11,17,21H,8,10,12-15H2,1H3/t17-/m0/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine?
N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine has a molecular weight of 311.43 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 129340589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).