4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol

C19H30N2O — CID 142041048

IUPAC4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol
SMILESC=C(NCC(C)CCCC)N1CC(Cc2ccc(O)cc2)C1
InChIInChI=1S/C19H30N2O/c1-4-5-6-15(2)12-20-16(3)21-13-18(14-21)11-17-7-9-19(22)10-8-17/h7-10,15,18,20,22H,3-6,11-14H2,1-2H3
InChIKeyXCOHGYLANNFYDE-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.75
Rot. Bonds9

About 4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol

4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol (PubChem CID 142041048) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol
PubChem CID142041048
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol
SMILESC=C(NCC(C)CCCC)N1CC(Cc2ccc(O)cc2)C1
InChIInChI=1S/C19H30N2O/c1-4-5-6-15(2)12-20-16(3)21-13-18(14-21)11-17-7-9-19(22)10-8-17/h7-10,15,18,20,22H,3-6,11-14H2,1-2H3
InChIKeyXCOHGYLANNFYDE-UHFFFAOYSA-N
XLogP3.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(5-Phenyl-pentylamino)-propyl]-phenol
CID 10520673
1-[3-(4-Hydroxyphenyl)-propyl]-2-mercaptoimidazole
CID 15124055
4-(3-(Methylamino)propyl)phenol
CID 546966
Phenol, p-(3-azetidinyl)-
CID 199531
4-[2-(Piperidin-4-yl)ethyl]phenol
CID 224026
1-[2-(4-Hydroxy-phenyl)-ethyl]-1,3-dihydro-imidazole-2-thione
CID 44461323
[(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium
CID 40424865
4-[(Piperidin-3-yl)methyl]phenol
CID 17039524
3-[5-(4-hydroxyphenyl)pentyl]-1H-imidazole-2-thione
CID 44461269
3-[4-(4-hydroxyphenyl)butyl]-1H-imidazole-2-thione
CID 44461282
N,N-dimethyltyraminium
CID 3914876
Tyroscherin
CID 139585970

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol?
The IUPAC name of 4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol (CID 142041048) is 4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol?
The canonical SMILES for 4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol is C=C(NCC(C)CCCC)N1CC(Cc2ccc(O)cc2)C1.
What is the InChIKey of 4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol?
The InChIKey is XCOHGYLANNFYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-5-6-15(2)12-20-16(3)21-13-18(14-21)11-17-7-9-19(22)10-8-17/h7-10,15,18,20,22H,3-6,11-14H2,1-2H3.
What are the key properties of 4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol?
4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol has a molecular weight of 302.46 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-(2-methylhexylamino)ethenyl]azetidin-3-yl]methyl]phenol is sourced from PubChem (CID 142041048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).