(3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine

C13H20N2O — CID 99986785

IUPAC(3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine
SMILESCCOc1cccc([C@H]2CN(C)C[C@@H]2N)c1
InChIInChI=1S/C13H20N2O/c1-3-16-11-6-4-5-10(7-11)12-8-15(2)9-13(12)14/h4-7,12-13H,3,8-9,14H2,1-2H3/t12-,13+/m1/s1
InChIKeyNGXVBQRXWPZTTC-OLZOCXBDSA-N
MW220.32 g/mol
LogP1.44
Rot. Bonds3

About (3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine

(3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine (PubChem CID 99986785) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine
PubChem CID99986785
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine
SMILESCCOc1cccc([C@H]2CN(C)C[C@@H]2N)c1
InChIInChI=1S/C13H20N2O/c1-3-16-11-6-4-5-10(7-11)12-8-15(2)9-13(12)14/h4-7,12-13H,3,8-9,14H2,1-2H3/t12-,13+/m1/s1
InChIKeyNGXVBQRXWPZTTC-OLZOCXBDSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine
CID 81415517
(3S,4S)-4-(3-ethoxyphenyl)pyrrolidin-3-amine
CID 129493439
4-(3-ethoxyphenyl)pyrrolidin-3-amine
CID 121199808
(3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 96623121
[5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341070
2-(3-ethoxyphenyl)oxan-3-amine
CID 79365505
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-one
CID 81414960
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine
CID 129353823
(3S,4R)-3-(3,4-diethoxyphenyl)-1-methylpiperidin-4-amine;dihydrochloride
CID 70021699
(3R)-1,3-dimethyl-4-(3-propoxyphenyl)piperidine
CID 143447260
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032583

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine (CID 99986785) is (3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine is CCOc1cccc([C@H]2CN(C)C[C@@H]2N)c1.
What is the InChIKey of (3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is NGXVBQRXWPZTTC-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-16-11-6-4-5-10(7-11)12-8-15(2)9-13(12)14/h4-7,12-13H,3,8-9,14H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine?
(3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(3-ethoxyphenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 99986785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).