4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol

C17H28N2O — CID 104861928

IUPAC4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol
SMILESCCN(CCNC(C)CCc1ccc(O)cc1)C1CC1
InChIInChI=1S/C17H28N2O/c1-3-19(16-8-9-16)13-12-18-14(2)4-5-15-6-10-17(20)11-7-15/h6-7,10-11,14,16,18,20H,3-5,8-9,12-13H2,1-2H3
InChIKeyXPWFJKBDNJHYOH-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.79
Rot. Bonds9

About 4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol

4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol (PubChem CID 104861928) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol
PubChem CID104861928
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol
SMILESCCN(CCNC(C)CCc1ccc(O)cc1)C1CC1
InChIInChI=1S/C17H28N2O/c1-3-19(16-8-9-16)13-12-18-14(2)4-5-15-6-10-17(20)11-7-15/h6-7,10-11,14,16,18,20H,3-5,8-9,12-13H2,1-2H3
InChIKeyXPWFJKBDNJHYOH-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[2-[butan-2-yl(methyl)amino]ethylamino]butyl]phenol
CID 104861930
N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62560903
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111172033
4-[3-(3-propoxypropylamino)butyl]phenol
CID 82941031
4-[3-(5-methylhexylamino)butyl]phenol
CID 115324450
4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol
CID 104862215
2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol
CID 104582175
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106335342
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026
4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol?
The IUPAC name of 4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol (CID 104861928) is 4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol?
The canonical SMILES for 4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol is CCN(CCNC(C)CCc1ccc(O)cc1)C1CC1.
What is the InChIKey of 4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol?
The InChIKey is XPWFJKBDNJHYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19(16-8-9-16)13-12-18-14(2)4-5-15-6-10-17(20)11-7-15/h6-7,10-11,14,16,18,20H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of 4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol?
4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol is sourced from PubChem (CID 104861928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).