5-(1-aminoethyl)-2-heptoxyphenol

C15H25NO2 — CID 67604172

IUPAC5-(1-aminoethyl)-2-heptoxyphenol
SMILESCCCCCCCOc1ccc(C(C)N)cc1O
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-7-10-18-15-9-8-13(12(2)16)11-14(15)17/h8-9,11-12,17H,3-7,10,16H2,1-2H3
InChIKeyCEWSODKENXBPFP-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.76
Rot. Bonds8

About 5-(1-aminoethyl)-2-heptoxyphenol

5-(1-aminoethyl)-2-heptoxyphenol (PubChem CID 67604172) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-(1-aminoethyl)-2-heptoxyphenol.

Molecular Properties

Compound Name5-(1-aminoethyl)-2-heptoxyphenol
PubChem CID67604172
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-(1-aminoethyl)-2-heptoxyphenol
SMILESCCCCCCCOc1ccc(C(C)N)cc1O
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-7-10-18-15-9-8-13(12(2)16)11-14(15)17/h8-9,11-12,17H,3-7,10,16H2,1-2H3
InChIKeyCEWSODKENXBPFP-UHFFFAOYSA-N
XLogP3.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(1-aminoethyl)-2-heptoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
1-(3-chloro-4-hexoxyphenyl)ethanamine
CID 55130353
4-nonoxybenzene-1,3-diol
CID 66563301
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
CID 102285591
CID 102285591
5-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]pentan-1-ol
CID 113389772
6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol
CID 107702850
2-tridecoxyphenol
CID 67178320
3-hydroxy-4-octoxybenzaldehyde
CID 59691799
5-[2-(benzotriazol-2-yl)-1-chloroethyl]-2-octoxyphenol
CID 174462980
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
3,6,7,10-tetrapentoxytriphenylene-2,11-diol
CID 10031566

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-2-heptoxyphenol?
The IUPAC name of 5-(1-aminoethyl)-2-heptoxyphenol (CID 67604172) is 5-(1-aminoethyl)-2-heptoxyphenol.
What is the SMILES notation for 5-(1-aminoethyl)-2-heptoxyphenol?
The canonical SMILES for 5-(1-aminoethyl)-2-heptoxyphenol is CCCCCCCOc1ccc(C(C)N)cc1O.
What is the InChIKey of 5-(1-aminoethyl)-2-heptoxyphenol?
The InChIKey is CEWSODKENXBPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-4-5-6-7-10-18-15-9-8-13(12(2)16)11-14(15)17/h8-9,11-12,17H,3-7,10,16H2,1-2H3.
What are the key properties of 5-(1-aminoethyl)-2-heptoxyphenol?
5-(1-aminoethyl)-2-heptoxyphenol has a molecular weight of 251.37 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-2-heptoxyphenol is sourced from PubChem (CID 67604172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).