1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol

C14H22N2O2 — CID 62986854

IUPAC1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
SMILESCC1CN(CC(O)c2ccccc2N)CCCO1
InChIInChI=1S/C14H22N2O2/c1-11-9-16(7-4-8-18-11)10-14(17)12-5-2-3-6-13(12)15/h2-3,5-6,11,14,17H,4,7-10,15H2,1H3
InChIKeyIRFKLVYFNVZSBQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.41
Rot. Bonds3

About 1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol

1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol (PubChem CID 62986854) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
PubChem CID62986854
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
SMILESCC1CN(CC(O)c2ccccc2N)CCCO1
InChIInChI=1S/C14H22N2O2/c1-11-9-16(7-4-8-18-11)10-14(17)12-5-2-3-6-13(12)15/h2-3,5-6,11,14,17H,4,7-10,15H2,1H3
InChIKeyIRFKLVYFNVZSBQ-UHFFFAOYSA-N
XLogP1.41
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol
CID 62973662
1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
CID 62974390
1-[2-(2-aminophenyl)-2-hydroxyethyl]-4-methylpiperidin-3-ol
CID 102956090
1-(2-aminophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol
CID 62266500
1,3-bis[(2S)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 124829213
1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62986560
2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62974389
1-(2-aminophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 62265781
2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline
CID 62987901
1-(4-aminophenoxy)-3-(2-methyl-1,4-oxazepan-4-yl)propan-2-ol
CID 62987736
1-(2-aminophenoxy)-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 43364486
(2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol
CID 130161382

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol (CID 62986854) is 1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol is CC1CN(CC(O)c2ccccc2N)CCCO1.
What is the InChIKey of 1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol?
The InChIKey is IRFKLVYFNVZSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-9-16(7-4-8-18-11)10-14(17)12-5-2-3-6-13(12)15/h2-3,5-6,11,14,17H,4,7-10,15H2,1H3.
What are the key properties of 1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol?
1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol has a molecular weight of 250.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol is sourced from PubChem (CID 62986854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).