(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine

C12H18N2O — CID 24904638

IUPAC(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1cccc(CN2CC[C@@H](N)C2)c1
InChIInChI=1S/C12H18N2O/c1-15-12-4-2-3-10(7-12)8-14-6-5-11(13)9-14/h2-4,7,11H,5-6,8-9,13H2,1H3/t11-/m1/s1
InChIKeyYFXLADVUIYRKLL-LLVKDONJSA-N
MW206.29 g/mol
LogP1.23
Rot. Bonds3

About (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine

(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine (PubChem CID 24904638) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
PubChem CID24904638
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1cccc(CN2CC[C@@H](N)C2)c1
InChIInChI=1S/C12H18N2O/c1-15-12-4-2-3-10(7-12)8-14-6-5-11(13)9-14/h2-4,7,11H,5-6,8-9,13H2,1H3/t11-/m1/s1
InChIKeyYFXLADVUIYRKLL-LLVKDONJSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725
(3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 162331548
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
3-(2-bromoethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 114800301
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine
CID 83980975
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 120836214
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418
ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980965
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine (CID 24904638) is (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine is COc1cccc(CN2CC[C@@H](N)C2)c1.
What is the InChIKey of (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is YFXLADVUIYRKLL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-12-4-2-3-10(7-12)8-14-6-5-11(13)9-14/h2-4,7,11H,5-6,8-9,13H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine?
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 24904638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).