(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine

C20H26N2O — CID 54131867

IUPAC(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCCOc1ccccc1CN[C@@H]1CCCN[C@@H]1c1ccccc1
InChIInChI=1S/C20H26N2O/c1-2-23-19-13-7-6-11-17(19)15-22-18-12-8-14-21-20(18)16-9-4-3-5-10-16/h3-7,9-11,13,18,20-22H,2,8,12,14-15H2,1H3/t18-,20-/m1/s1
InChIKeyNUYAJAMOEASYOH-UYAOXDASSA-N
MW310.44 g/mol
LogP3.67
Rot. Bonds6

About (2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine

(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine (PubChem CID 54131867) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
PubChem CID54131867
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCCOc1ccccc1CN[C@@H]1CCCN[C@@H]1c1ccccc1
InChIInChI=1S/C20H26N2O/c1-2-23-19-13-7-6-11-17(19)15-22-18-12-8-14-21-20(18)16-9-4-3-5-10-16/h3-7,9-11,13,18,20-22H,2,8,12,14-15H2,1H3/t18-,20-/m1/s1
InChIKeyNUYAJAMOEASYOH-UYAOXDASSA-N
XLogP3.67
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 19696661
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine
CID 67820293
(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861
(2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 57158531
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 54152550
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of (2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine (CID 54131867) is (2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for (2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine is CCOc1ccccc1CN[C@@H]1CCCN[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
The InChIKey is NUYAJAMOEASYOH-UYAOXDASSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-23-19-13-7-6-11-17(19)15-22-18-12-8-14-21-20(18)16-9-4-3-5-10-16/h3-7,9-11,13,18,20-22H,2,8,12,14-15H2,1H3/t18-,20-/m1/s1.
What are the key properties of (2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine has a molecular weight of 310.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 54131867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).