(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol

C17H28N2O — CID 107862315

IUPAC(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol
SMILESCC(CC1CCCCCN1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-14(12-16-10-6-3-7-11-18-16)19-17(13-20)15-8-4-2-5-9-15/h2,4-5,8-9,14,16-20H,3,6-7,10-13H2,1H3/t14?,16?,17-/m1/s1
InChIKeyDVKLCPOZMAWSLP-BDVYOWHSSA-N
MW276.42 g/mol
LogP2.62
Rot. Bonds6

About (2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol

(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol (PubChem CID 107862315) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol
PubChem CID107862315
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol
SMILESCC(CC1CCCCCN1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-14(12-16-10-6-3-7-11-18-16)19-17(13-20)15-8-4-2-5-9-15/h2,4-5,8-9,14,16-20H,3,6-7,10-13H2,1H3/t14?,16?,17-/m1/s1
InChIKeyDVKLCPOZMAWSLP-BDVYOWHSSA-N
XLogP2.62
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79539961
N-[1-(azepan-2-yl)propan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 79540841
2,2-dimethyl-1-phenyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 79536453
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069
3-[1-(azepan-2-yl)propan-2-ylamino]-3-thiophen-2-ylpropanoic acid
CID 79540847
(2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol
CID 107862197
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
1-(azepan-2-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81373374
1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 79553763
2-ethyl-1-phenyl-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
CID 79538040
1-(azepan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 79560959

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol (CID 107862315) is (2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol is CC(CC1CCCCCN1)N[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol?
The InChIKey is DVKLCPOZMAWSLP-BDVYOWHSSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(12-16-10-6-3-7-11-18-16)19-17(13-20)15-8-4-2-5-9-15/h2,4-5,8-9,14,16-20H,3,6-7,10-13H2,1H3/t14?,16?,17-/m1/s1.
What are the key properties of (2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol?
(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol has a molecular weight of 276.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol is sourced from PubChem (CID 107862315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).