2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol

C13H18N2O — CID 79504547

IUPAC2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol
SMILESOCC(NC1=NCCCC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c16-10-12(11-6-2-1-3-7-11)15-13-8-4-5-9-14-13/h1-3,6-7,12,16H,4-5,8-10H2,(H,14,15)
InChIKeyBCXPFXHRFZWCFS-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.89
Rot. Bonds3

About 2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol

2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol (PubChem CID 79504547) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol.

Molecular Properties

Compound Name2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol
PubChem CID79504547
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol
SMILESOCC(NC1=NCCCC1)c1ccccc1
InChIInChI=1S/C13H18N2O/c16-10-12(11-6-2-1-3-7-11)15-13-8-4-5-9-14-13/h1-3,6-7,12,16H,4-5,8-10H2,(H,14,15)
InChIKeyBCXPFXHRFZWCFS-UHFFFAOYSA-N
XLogP1.89
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-diphenylbutyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 19771634
N-[(3-chlorophenyl)-phenylmethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 54404722
tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398140
3-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
CID 83177293
1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide
CID 114010313
N-(1-dibenzofuran-2-ylpropyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 19771647
N-[(1S)-1-(3-methylphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 81361412
2-(hydroxyamino)-2-phenylethanol
CID 12782000
N-(2-hydroxy-1-phenylethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 24947641
6-benzhydryl-2,3,4,5-tetrahydropyridine
CID 54250072
N-(1-pyridin-3-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79508337
2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid
CID 115038877

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol?
The IUPAC name of 2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol (CID 79504547) is 2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol.
What is the SMILES notation for 2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol?
The canonical SMILES for 2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol is OCC(NC1=NCCCC1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol?
The InChIKey is BCXPFXHRFZWCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-10-12(11-6-2-1-3-7-11)15-13-8-4-5-9-14-13/h1-3,6-7,12,16H,4-5,8-10H2,(H,14,15).
What are the key properties of 2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol?
2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol has a molecular weight of 218.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol is sourced from PubChem (CID 79504547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).