(1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine

C21H29N3O — CID 99928863

IUPAC(1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine
SMILESCOc1ccc(CN(C)[C@@H](C)c2cccnc2)cc1CN1CCCC1
InChIInChI=1S/C21H29N3O/c1-17(19-7-6-10-22-14-19)23(2)15-18-8-9-21(25-3)20(13-18)16-24-11-4-5-12-24/h6-10,13-14,17H,4-5,11-12,15-16H2,1-3H3/t17-/m0/s1
InChIKeyRAYXAAPSIYSZHC-KRWDZBQOSA-N
MW339.48 g/mol
LogP3.88
Rot. Bonds7

About (1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine

(1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine (PubChem CID 99928863) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is (1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine
PubChem CID99928863
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name(1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine
SMILESCOc1ccc(CN(C)[C@@H](C)c2cccnc2)cc1CN1CCCC1
InChIInChI=1S/C21H29N3O/c1-17(19-7-6-10-22-14-19)23(2)15-18-8-9-21(25-3)20(13-18)16-24-11-4-5-12-24/h6-10,13-14,17H,4-5,11-12,15-16H2,1-3H3/t17-/m0/s1
InChIKeyRAYXAAPSIYSZHC-KRWDZBQOSA-N
XLogP3.88
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine with MolForge

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Related Compounds

N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 77081354
(1R)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 99929013
1-[(3,4-dimethoxyphenyl)methyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 56789971
1-[(3,4-dimethoxyphenyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine
CID 95626118
4-methoxy-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130559478
3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]pyridine
CID 56722412
N-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 91769308
3-methyl-6-[[methyl(1-pyridin-3-ylethyl)amino]methyl]-1,3-benzothiazol-2-one
CID 91653501
(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine
CID 95119543
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 77083125

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine (CID 99928863) is (1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine is COc1ccc(CN(C)[C@@H](C)c2cccnc2)cc1CN1CCCC1.
What is the InChIKey of (1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine?
The InChIKey is RAYXAAPSIYSZHC-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H29N3O/c1-17(19-7-6-10-22-14-19)23(2)15-18-8-9-21(25-3)20(13-18)16-24-11-4-5-12-24/h6-10,13-14,17H,4-5,11-12,15-16H2,1-3H3/t17-/m0/s1.
What are the key properties of (1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine?
(1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine has a molecular weight of 339.48 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine is sourced from PubChem (CID 99928863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).