(3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine

C11H16N2O — CID 129407373

IUPAC(3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine
SMILESCOc1ccccc1[C@@H]1CNC[C@H]1N
InChIInChI=1S/C11H16N2O/c1-14-11-5-3-2-4-8(11)9-6-13-7-10(9)12/h2-5,9-10,13H,6-7,12H2,1H3/t9-,10+/m0/s1
InChIKeyXRRDRENDCQEGFQ-VHSXEESVSA-N
MW192.26 g/mol
LogP0.71
Rot. Bonds2

About (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine

(3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine (PubChem CID 129407373) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine
PubChem CID129407373
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine
SMILESCOc1ccccc1[C@@H]1CNC[C@H]1N
InChIInChI=1S/C11H16N2O/c1-14-11-5-3-2-4-8(11)9-6-13-7-10(9)12/h2-5,9-10,13H,6-7,12H2,1H3/t9-,10+/m0/s1
InChIKeyXRRDRENDCQEGFQ-VHSXEESVSA-N
XLogP0.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate
CID 51441231
6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83817894
4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82395877
1-methoxy-2-(2-methylcyclopropyl)benzene
CID 12651013
N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42656378
(4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine
CID 129411572
[4-(2-methoxyphenyl)piperidin-3-yl]methanol
CID 70454555
4-(2-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546673
3-methoxy-4-(2-methoxyphenyl)piperidine
CID 70219003
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413
(1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 10848491

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine (CID 129407373) is (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine is COc1ccccc1[C@@H]1CNC[C@H]1N.
What is the InChIKey of (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine?
The InChIKey is XRRDRENDCQEGFQ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-8(11)9-6-13-7-10(9)12/h2-5,9-10,13H,6-7,12H2,1H3/t9-,10+/m0/s1.
What are the key properties of (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine?
(3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine has a molecular weight of 192.26 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 129407373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).