(3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine

C12H18N2O — CID 129359671

IUPAC(3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine
SMILESCCOc1ccc([C@@H]2CNC[C@@H]2N)cc1
InChIInChI=1S/C12H18N2O/c1-2-15-10-5-3-9(4-6-10)11-7-14-8-12(11)13/h3-6,11-12,14H,2,7-8,13H2,1H3/t11-,12-/m0/s1
InChIKeyNYWKNSURPSLGEQ-RYUDHWBXSA-N
MW206.29 g/mol
LogP1.10
Rot. Bonds3

About (3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine

(3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine (PubChem CID 129359671) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine
PubChem CID129359671
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine
SMILESCCOc1ccc([C@@H]2CNC[C@@H]2N)cc1
InChIInChI=1S/C12H18N2O/c1-2-15-10-5-3-9(4-6-10)11-7-14-8-12(11)13/h3-6,11-12,14H,2,7-8,13H2,1H3/t11-,12-/m0/s1
InChIKeyNYWKNSURPSLGEQ-RYUDHWBXSA-N
XLogP1.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-(3-ethoxyphenyl)pyrrolidin-3-amine
CID 129493439
4-(3-ethoxyphenyl)pyrrolidin-3-amine
CID 121199808
(3S,4R)-4-(4-ethoxyphenyl)pyrrolidine-3-carbonitrile
CID 129493041
2-(4-ethoxyphenyl)cyclohexan-1-amine
CID 62800786
[3-(4-ethoxyphenyl)piperidin-4-yl]methanol
CID 117000508
(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine
CID 90167505
(3R,4R)-4-[4-(dimethylamino)phenyl]pyrrolidin-3-amine
CID 129407390
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
(3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine
CID 124705549
(3R,4R)-4-pyridin-4-ylpyrrolidin-3-amine
CID 129493482
4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine
CID 82617230
2-(4-butoxyphenyl)cyclopropan-1-amine
CID 59628060

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of (3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine (CID 129359671) is (3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine is CCOc1ccc([C@@H]2CNC[C@@H]2N)cc1.
What is the InChIKey of (3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine?
The InChIKey is NYWKNSURPSLGEQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-15-10-5-3-9(4-6-10)11-7-14-8-12(11)13/h3-6,11-12,14H,2,7-8,13H2,1H3/t11-,12-/m0/s1.
What are the key properties of (3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine?
(3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-ethoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 129359671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).