4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol

C16H25NO — CID 104862215

IUPAC4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol
SMILESCCC1(CNC(C)CCc2ccc(O)cc2)CC1
InChIInChI=1S/C16H25NO/c1-3-16(10-11-16)12-17-13(2)4-5-14-6-8-15(18)9-7-14/h6-9,13,17-18H,3-5,10-12H2,1-2H3
InChIKeyXSRCJJNUZRCOTQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.49
Rot. Bonds7

About 4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol

4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol (PubChem CID 104862215) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol
PubChem CID104862215
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol
SMILESCCC1(CNC(C)CCc2ccc(O)cc2)CC1
InChIInChI=1S/C16H25NO/c1-3-16(10-11-16)12-17-13(2)4-5-14-6-8-15(18)9-7-14/h6-9,13,17-18H,3-5,10-12H2,1-2H3
InChIKeyXSRCJJNUZRCOTQ-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(1-propylcyclopropyl)methylamino]propyl]phenol
CID 114099628
4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol
CID 104861989
N-[(1-ethylcyclopropyl)methyl]pentan-2-amine
CID 103903056
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026
4-[3-[(1-methylpyrrol-3-yl)methylamino]butyl]phenol
CID 66397478
4-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]butyl]phenol
CID 79358775
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol
CID 104861928
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
4-[3-(5-methylhexylamino)butyl]phenol
CID 115324450

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol?
The IUPAC name of 4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol (CID 104862215) is 4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol?
The canonical SMILES for 4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol is CCC1(CNC(C)CCc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol?
The InChIKey is XSRCJJNUZRCOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-16(10-11-16)12-17-13(2)4-5-14-6-8-15(18)9-7-14/h6-9,13,17-18H,3-5,10-12H2,1-2H3.
What are the key properties of 4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol?
4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol has a molecular weight of 247.38 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-ethylcyclopropyl)methylamino]butyl]phenol is sourced from PubChem (CID 104862215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).