(3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine

C13H20N2O — CID 120836214

IUPAC(3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1cc(CN2CC[C@H](N)C2)ccc1C
InChIInChI=1S/C13H20N2O/c1-10-3-4-11(7-13(10)16-2)8-15-6-5-12(14)9-15/h3-4,7,12H,5-6,8-9,14H2,1-2H3/t12-/m0/s1
InChIKeyQNXBEJSFCLSWIZ-LBPRGKRZSA-N
MW220.32 g/mol
LogP1.54
Rot. Bonds3

About (3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine

(3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 120836214) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine
PubChem CID120836214
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1cc(CN2CC[C@H](N)C2)ccc1C
InChIInChI=1S/C13H20N2O/c1-10-3-4-11(7-13(10)16-2)8-15-6-5-12(14)9-15/h3-4,7,12H,5-6,8-9,14H2,1-2H3/t12-/m0/s1
InChIKeyQNXBEJSFCLSWIZ-LBPRGKRZSA-N
XLogP1.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-aminopyrrolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106792748
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115301915
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine
CID 68821598
(3S)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 115302519
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperazine
CID 120845778
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine
CID 120839930
(3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 162331548
(3S)-1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 120836290
(3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine
CID 99717486
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine (CID 120836214) is (3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine is COc1cc(CN2CC[C@H](N)C2)ccc1C.
What is the InChIKey of (3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is QNXBEJSFCLSWIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-3-4-11(7-13(10)16-2)8-15-6-5-12(14)9-15/h3-4,7,12H,5-6,8-9,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine?
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 120836214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).