2-[1-amino-2-(azepan-1-yl)ethyl]phenol

C14H22N2O — CID 117243601

IUPAC2-[1-amino-2-(azepan-1-yl)ethyl]phenol
SMILESNC(CN1CCCCCC1)c1ccccc1O
InChIInChI=1S/C14H22N2O/c15-13(12-7-3-4-8-14(12)17)11-16-9-5-1-2-6-10-16/h3-4,7-8,13,17H,1-2,5-6,9-11,15H2
InChIKeyMIZXZDWTQGDLMR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.27
Rot. Bonds3

About 2-[1-amino-2-(azepan-1-yl)ethyl]phenol

2-[1-amino-2-(azepan-1-yl)ethyl]phenol (PubChem CID 117243601) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[1-amino-2-(azepan-1-yl)ethyl]phenol.

Molecular Properties

Compound Name2-[1-amino-2-(azepan-1-yl)ethyl]phenol
PubChem CID117243601
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[1-amino-2-(azepan-1-yl)ethyl]phenol
SMILESNC(CN1CCCCCC1)c1ccccc1O
InChIInChI=1S/C14H22N2O/c15-13(12-7-3-4-8-14(12)17)11-16-9-5-1-2-6-10-16/h3-4,7-8,13,17H,1-2,5-6,9-11,15H2
InChIKeyMIZXZDWTQGDLMR-UHFFFAOYSA-N
XLogP2.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 16787615
2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol
CID 117243887
2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol
CID 117243867
3-(1-amino-2-piperidin-1-ylethyl)phenol
CID 117242599
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol
CID 117063130
2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol
CID 61471961
2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 82295585
2-(azocan-1-yl)-1-thiophen-2-ylethanamine
CID 115287666
2-(azocan-1-yl)-1-naphthalen-2-ylethanamine
CID 43097660
1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride
CID 3047655
2-(1-amino-2-fluoroethyl)phenol
CID 83815442

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-2-(azepan-1-yl)ethyl]phenol?
The IUPAC name of 2-[1-amino-2-(azepan-1-yl)ethyl]phenol (CID 117243601) is 2-[1-amino-2-(azepan-1-yl)ethyl]phenol.
What is the SMILES notation for 2-[1-amino-2-(azepan-1-yl)ethyl]phenol?
The canonical SMILES for 2-[1-amino-2-(azepan-1-yl)ethyl]phenol is NC(CN1CCCCCC1)c1ccccc1O.
What is the InChIKey of 2-[1-amino-2-(azepan-1-yl)ethyl]phenol?
The InChIKey is MIZXZDWTQGDLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-13(12-7-3-4-8-14(12)17)11-16-9-5-1-2-6-10-16/h3-4,7-8,13,17H,1-2,5-6,9-11,15H2.
What are the key properties of 2-[1-amino-2-(azepan-1-yl)ethyl]phenol?
2-[1-amino-2-(azepan-1-yl)ethyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-2-(azepan-1-yl)ethyl]phenol is sourced from PubChem (CID 117243601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).