3-[(3R)-1,3-dimethylazepan-3-yl]phenol

C14H21NO — CID 143979161

IUPAC3-[(3R)-1,3-dimethylazepan-3-yl]phenol
SMILESCN1CCCC[C@](C)(c2cccc(O)c2)C1
InChIInChI=1S/C14H21NO/c1-14(8-3-4-9-15(2)11-14)12-6-5-7-13(16)10-12/h5-7,10,16H,3-4,8-9,11H2,1-2H3/t14-/m0/s1
InChIKeyLBJMODGXTMCLCY-AWEZNQCLSA-N
MW219.33 g/mol
LogP2.77
Rot. Bonds1

About 3-[(3R)-1,3-dimethylazepan-3-yl]phenol

3-[(3R)-1,3-dimethylazepan-3-yl]phenol (PubChem CID 143979161) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[(3R)-1,3-dimethylazepan-3-yl]phenol.

Molecular Properties

Compound Name3-[(3R)-1,3-dimethylazepan-3-yl]phenol
PubChem CID143979161
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-[(3R)-1,3-dimethylazepan-3-yl]phenol
SMILESCN1CCCC[C@](C)(c2cccc(O)c2)C1
InChIInChI=1S/C14H21NO/c1-14(8-3-4-9-15(2)11-14)12-6-5-7-13(16)10-12/h5-7,10,16H,3-4,8-9,11H2,1-2H3/t14-/m0/s1
InChIKeyLBJMODGXTMCLCY-AWEZNQCLSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3S)-1,3-dimethylazepan-3-yl]phenol
CID 143979159
(3R)-3-(3-methoxyphenyl)-1,3-dimethylpiperidine
CID 129404218
cyclohexa-2,5-diene-1,4-dione;3-(3-ethyl-1-methylazepan-3-yl)phenol
CID 68618319
(2S)-2-aminopropanoic acid;3-(3-ethyl-1-methylazepan-3-yl)phenol
CID 24864009
3-[3-ethyl-1-(2-piperidin-1-ylethyl)azepan-3-yl]phenol
CID 130244451
3-[(3S)-3-ethyl-1-[10-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]decyl]azepan-3-yl]phenol
CID 24827759
3-[3-ethyl-1-[8-[3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]octyl]azepan-3-yl]phenol
CID 74326941
3-[(5aR,8aS)-2-methyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepin-5a-yl]phenol;hydrochloride
CID 86736364
3-[1-(dimethylamino)cyclopentyl]phenol
CID 115024208
3-[(3aR,7aR)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]phenol
CID 102234492
3-[(3R)-1-benzyl-3-ethylazepan-3-yl]phenol
CID 141358360
3-(2-methyl-1,3,4,9b-tetrahydro-[1]benzofuro[3,2-c]pyridin-4a-yl)phenol
CID 13469705

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1,3-dimethylazepan-3-yl]phenol?
The IUPAC name of 3-[(3R)-1,3-dimethylazepan-3-yl]phenol (CID 143979161) is 3-[(3R)-1,3-dimethylazepan-3-yl]phenol.
What is the SMILES notation for 3-[(3R)-1,3-dimethylazepan-3-yl]phenol?
The canonical SMILES for 3-[(3R)-1,3-dimethylazepan-3-yl]phenol is CN1CCCC[C@](C)(c2cccc(O)c2)C1.
What is the InChIKey of 3-[(3R)-1,3-dimethylazepan-3-yl]phenol?
The InChIKey is LBJMODGXTMCLCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(8-3-4-9-15(2)11-14)12-6-5-7-13(16)10-12/h5-7,10,16H,3-4,8-9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-[(3R)-1,3-dimethylazepan-3-yl]phenol?
3-[(3R)-1,3-dimethylazepan-3-yl]phenol has a molecular weight of 219.33 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1,3-dimethylazepan-3-yl]phenol is sourced from PubChem (CID 143979161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).