(2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol

C18H24N2O2 — CID 15474643

IUPAC(2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol
SMILESOC[C@H](N[C@H]1CCCCN[C@@H]1c1ccco1)c1ccccc1
InChIInChI=1S/C18H24N2O2/c21-13-16(14-7-2-1-3-8-14)20-15-9-4-5-11-19-18(15)17-10-6-12-22-17/h1-3,6-8,10,12,15-16,18-21H,4-5,9,11,13H2/t15-,16-,18-/m0/s1
InChIKeyNHDKCZJXMBADQK-BQFCYCMXSA-N
MW300.40 g/mol
LogP2.79
Rot. Bonds5

About (2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol

(2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol (PubChem CID 15474643) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol
PubChem CID15474643
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol
SMILESOC[C@H](N[C@H]1CCCCN[C@@H]1c1ccco1)c1ccccc1
InChIInChI=1S/C18H24N2O2/c21-13-16(14-7-2-1-3-8-14)20-15-9-4-5-11-19-18(15)17-10-6-12-22-17/h1-3,6-8,10,12,15-16,18-21H,4-5,9,11,13H2/t15-,16-,18-/m0/s1
InChIKeyNHDKCZJXMBADQK-BQFCYCMXSA-N
XLogP2.79
TPSA57.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol
CID 63183129
(2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 107862308
2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759908
2-[(2-hydroxy-1-phenylethyl)amino]cycloheptane-1-carbonitrile
CID 55159617
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
(2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol
CID 107862197
(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol
CID 103913967
(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol
CID 107862315
2-(furan-2-yl)piperidin-3-amine
CID 82125093
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 114010293
2-(2-bicyclo[2.2.1]heptanylamino)-2-phenylethanol
CID 63182183
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol (CID 15474643) is (2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol is OC[C@H](N[C@H]1CCCCN[C@@H]1c1ccco1)c1ccccc1.
What is the InChIKey of (2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol?
The InChIKey is NHDKCZJXMBADQK-BQFCYCMXSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-13-16(14-7-2-1-3-8-14)20-15-9-4-5-11-19-18(15)17-10-6-12-22-17/h1-3,6-8,10,12,15-16,18-21H,4-5,9,11,13H2/t15-,16-,18-/m0/s1.
What are the key properties of (2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol?
(2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol has a molecular weight of 300.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S,3S)-2-(furan-2-yl)azepan-3-yl]amino]-2-phenylethanol is sourced from PubChem (CID 15474643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).