4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol

C18H30N2O — CID 65073310

IUPAC4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol
SMILESCCN1CCCC(NC(C)CCc2ccc(O)cc2)CC1
InChIInChI=1S/C18H30N2O/c1-3-20-13-4-5-17(12-14-20)19-15(2)6-7-16-8-10-18(21)11-9-16/h8-11,15,17,19,21H,3-7,12-14H2,1-2H3
InChIKeyWLBHUBUQAZXNTB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.18
Rot. Bonds6

About 4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol

4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol (PubChem CID 65073310) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol
PubChem CID65073310
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol
SMILESCCN1CCCC(NC(C)CCc2ccc(O)cc2)CC1
InChIInChI=1S/C18H30N2O/c1-3-20-13-4-5-17(12-14-20)19-15(2)6-7-16-8-10-18(21)11-9-16/h8-11,15,17,19,21H,3-7,12-14H2,1-2H3
InChIKeyWLBHUBUQAZXNTB-UHFFFAOYSA-N
XLogP3.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol 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

4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol
CID 61212712
4-[3-[(3-methylcyclohexyl)amino]butyl]phenol
CID 43317708
2-[(1-ethylazepan-4-yl)amino]propan-1-ol
CID 65074145
4-[2-[(1-ethylpiperidin-4-yl)amino]ethyl]phenol
CID 61239241
1-ethyl-N-octan-2-ylazepan-4-amine
CID 65073941
(3R)-3-[(1-ethylpiperidin-4-yl)amino]butan-1-ol
CID 103914392
4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol
CID 61471809
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
2-[4-(4-phenylbutan-2-ylamino)piperidin-1-yl]acetamide
CID 43746850
1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine
CID 65078689

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol?
The IUPAC name of 4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol (CID 65073310) is 4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol.
What is the SMILES notation for 4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol?
The canonical SMILES for 4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol is CCN1CCCC(NC(C)CCc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol?
The InChIKey is WLBHUBUQAZXNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-20-13-4-5-17(12-14-20)19-15(2)6-7-16-8-10-18(21)11-9-16/h8-11,15,17,19,21H,3-7,12-14H2,1-2H3.
What are the key properties of 4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol?
4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol has a molecular weight of 290.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-ethylazepan-4-yl)amino]butyl]phenol is sourced from PubChem (CID 65073310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).