(2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine

C14H22N2O — CID 178196562

IUPAC(2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCOc1cccc([C@H]2[C@H](N)CCN2C(C)C)c1
InChIInChI=1S/C14H22N2O/c1-10(2)16-8-7-13(15)14(16)11-5-4-6-12(9-11)17-3/h4-6,9-10,13-14H,7-8,15H2,1-3H3/t13-,14+/m1/s1
InChIKeyPLTQDFBDLGONDS-KGLIPLIRSA-N
MW234.34 g/mol
LogP2.18
Rot. Bonds3

About (2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine

(2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 178196562) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID178196562
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCOc1cccc([C@H]2[C@H](N)CCN2C(C)C)c1
InChIInChI=1S/C14H22N2O/c1-10(2)16-8-7-13(15)14(16)11-5-4-6-12(9-11)17-3/h4-6,9-10,13-14H,7-8,15H2,1-3H3/t13-,14+/m1/s1
InChIKeyPLTQDFBDLGONDS-KGLIPLIRSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-(3-aminophenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 178196704
2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine
CID 79977748
4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546674
(4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 178192247
5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one
CID 82193447
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184
2-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 83841819
5-(3-amino-1-propan-2-ylazepan-2-yl)-2-methoxybenzonitrile
CID 65341186
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol
CID 105477662
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine (CID 178196562) is (2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine is COc1cccc([C@H]2[C@H](N)CCN2C(C)C)c1.
What is the InChIKey of (2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is PLTQDFBDLGONDS-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)16-8-7-13(15)14(16)11-5-4-6-12(9-11)17-3/h4-6,9-10,13-14H,7-8,15H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of (2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine?
(2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 178196562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).