3-[5-(2-methylpropyl)azonan-1-yl]phenol

C18H29NO — CID 123840443

IUPAC3-[5-(2-methylpropyl)azonan-1-yl]phenol
SMILESCC(C)CC1CCCCN(c2cccc(O)c2)CCC1
InChIInChI=1S/C18H29NO/c1-15(2)13-16-7-3-4-11-19(12-6-8-16)17-9-5-10-18(20)14-17/h5,9-10,14-16,20H,3-4,6-8,11-13H2,1-2H3
InChIKeyBABGAMSSPFGHAM-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.82
Rot. Bonds3

About 3-[5-(2-methylpropyl)azonan-1-yl]phenol

3-[5-(2-methylpropyl)azonan-1-yl]phenol (PubChem CID 123840443) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[5-(2-methylpropyl)azonan-1-yl]phenol.

Molecular Properties

Compound Name3-[5-(2-methylpropyl)azonan-1-yl]phenol
PubChem CID123840443
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-[5-(2-methylpropyl)azonan-1-yl]phenol
SMILESCC(C)CC1CCCCN(c2cccc(O)c2)CCC1
InChIInChI=1S/C18H29NO/c1-15(2)13-16-7-3-4-11-19(12-6-8-16)17-9-5-10-18(20)14-17/h5,9-10,14-16,20H,3-4,6-8,11-13H2,1-2H3
InChIKeyBABGAMSSPFGHAM-UHFFFAOYSA-N
XLogP4.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115025213
1-(3-hydroxyphenyl)piperidin-4-ol
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N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
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[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine
CID 102814059
1-(3-hydroxyphenyl)pyrrolidin-3-ol
CID 90894280
3-(4-methylsulfonylpiperazin-1-yl)phenol
CID 640050
3-(4,4-diethylpiperazin-4-ium-1-yl)phenol
CID 127039966
3-[4-(2-fluoroethyl)piperazin-1-yl]phenol
CID 11206864
1-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703395
methylcyclohexane;1-phenylpiperidine
CID 174582589
3-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505094

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylpropyl)azonan-1-yl]phenol?
The IUPAC name of 3-[5-(2-methylpropyl)azonan-1-yl]phenol (CID 123840443) is 3-[5-(2-methylpropyl)azonan-1-yl]phenol.
What is the SMILES notation for 3-[5-(2-methylpropyl)azonan-1-yl]phenol?
The canonical SMILES for 3-[5-(2-methylpropyl)azonan-1-yl]phenol is CC(C)CC1CCCCN(c2cccc(O)c2)CCC1.
What is the InChIKey of 3-[5-(2-methylpropyl)azonan-1-yl]phenol?
The InChIKey is BABGAMSSPFGHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15(2)13-16-7-3-4-11-19(12-6-8-16)17-9-5-10-18(20)14-17/h5,9-10,14-16,20H,3-4,6-8,11-13H2,1-2H3.
What are the key properties of 3-[5-(2-methylpropyl)azonan-1-yl]phenol?
3-[5-(2-methylpropyl)azonan-1-yl]phenol has a molecular weight of 275.44 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylpropyl)azonan-1-yl]phenol is sourced from PubChem (CID 123840443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).