(2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine

C20H27N3 — CID 57158531

IUPAC(2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCCNc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C20H27N3/c1-2-21-18-12-7-6-11-17(18)15-23-19-13-8-14-22-20(19)16-9-4-3-5-10-16/h3-7,9-12,19-23H,2,8,13-15H2,1H3/t19-,20-/m0/s1
InChIKeyJXTYRCJTYYVXRL-PMACEKPBSA-N
MW309.46 g/mol
LogP3.70
Rot. Bonds6

About (2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine

(2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine (PubChem CID 57158531) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is (2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine
PubChem CID57158531
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name(2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCCNc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIInChI=1S/C20H27N3/c1-2-21-18-12-7-6-11-17(18)15-23-19-13-8-14-22-20(19)16-9-4-3-5-10-16/h3-7,9-12,19-23H,2,8,13-15H2,1H3/t19-,20-/m0/s1
InChIKeyJXTYRCJTYYVXRL-PMACEKPBSA-N
XLogP3.70
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861
(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54131867
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
(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
2-[[(2-phenylpiperidin-3-yl)amino]methyl]benzene-1,4-diol
CID 11695097
N-[(5-fluoro-2-methylsulfanylphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 19696673
(2S,3S)-2-phenyl-N-(quinolin-8-ylmethyl)piperidin-3-amine;hydrochloride
CID 67619110
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine
CID 67820293

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of (2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine (CID 57158531) is (2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for (2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine is CCNc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine?
The InChIKey is JXTYRCJTYYVXRL-PMACEKPBSA-N. The full InChI is InChI=1S/C20H27N3/c1-2-21-18-12-7-6-11-17(18)15-23-19-13-8-14-22-20(19)16-9-4-3-5-10-16/h3-7,9-12,19-23H,2,8,13-15H2,1H3/t19-,20-/m0/s1.
What are the key properties of (2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine?
(2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine has a molecular weight of 309.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 57158531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).