1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol

C17H28N2O — CID 79560809

IUPAC1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol
SMILESCC(CC1CCCCCN1)Nc1ccccc1C(C)O
InChIInChI=1S/C17H28N2O/c1-13(12-15-8-4-3-7-11-18-15)19-17-10-6-5-9-16(17)14(2)20/h5-6,9-10,13-15,18-20H,3-4,7-8,11-12H2,1-2H3
InChIKeyLUONATRYQRQNKL-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.46
Rot. Bonds5

About 1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol

1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol (PubChem CID 79560809) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol
PubChem CID79560809
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol
SMILESCC(CC1CCCCCN1)Nc1ccccc1C(C)O
InChIInChI=1S/C17H28N2O/c1-13(12-15-8-4-3-7-11-18-15)19-17-10-6-5-9-16(17)14(2)20/h5-6,9-10,13-15,18-20H,3-4,7-8,11-12H2,1-2H3
InChIKeyLUONATRYQRQNKL-UHFFFAOYSA-N
XLogP3.46
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]naphthalen-1-amine
CID 79540649
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
N-[1-(azepan-2-yl)propan-2-yl]-2-(difluoromethylsulfanyl)aniline
CID 79540761
N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline
CID 79559708
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79540760
N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline
CID 79560372
2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539102
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
N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide
CID 79537724
N-[1-(azepan-2-yl)propan-2-yl]-4-bromo-2,3-dichloroaniline
CID 107788121

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol?
The IUPAC name of 1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol (CID 79560809) is 1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol.
What is the SMILES notation for 1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol?
The canonical SMILES for 1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol is CC(CC1CCCCCN1)Nc1ccccc1C(C)O.
What is the InChIKey of 1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol?
The InChIKey is LUONATRYQRQNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(12-15-8-4-3-7-11-18-15)19-17-10-6-5-9-16(17)14(2)20/h5-6,9-10,13-15,18-20H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol?
1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol has a molecular weight of 276.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol is sourced from PubChem (CID 79560809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).