4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol

C17H30N2O — CID 104861930

IUPAC4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol
SMILESCCC(C)N(C)CCNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C17H30N2O/c1-5-15(3)19(4)13-12-18-14(2)6-7-16-8-10-17(20)11-9-16/h8-11,14-15,18,20H,5-7,12-13H2,1-4H3
InChIKeyYITPXFBKHCZWHX-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.03
Rot. Bonds9

About 4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol

4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol (PubChem CID 104861930) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol
PubChem CID104861930
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol
SMILESCCC(C)N(C)CCNC(C)CCc1ccc(O)cc1
InChIInChI=1S/C17H30N2O/c1-5-15(3)19(4)13-12-18-14(2)6-7-16-8-10-17(20)11-9-16/h8-11,14-15,18,20H,5-7,12-13H2,1-4H3
InChIKeyYITPXFBKHCZWHX-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]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-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol
CID 113357824
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol
CID 104861928
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106335342
4-[3-(5-methylhexylamino)butyl]phenol
CID 115324450
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026
hydron;4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;chloride
CID 54759025
4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol
CID 104861989
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide
CID 43310878
4-[3-(3-propoxypropylamino)butyl]phenol
CID 82941031
N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine
CID 60852501
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol?
The IUPAC name of 4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol (CID 104861930) is 4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol?
The canonical SMILES for 4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol is CCC(C)N(C)CCNC(C)CCc1ccc(O)cc1.
What is the InChIKey of 4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol?
The InChIKey is YITPXFBKHCZWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-15(3)19(4)13-12-18-14(2)6-7-16-8-10-17(20)11-9-16/h8-11,14-15,18,20H,5-7,12-13H2,1-4H3.
What are the key properties of 4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol?
4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol has a molecular weight of 278.44 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol is sourced from PubChem (CID 104861930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).