4-[azepan-2-ylmethyl(methyl)amino]phenol

C14H22N2O — CID 84697932

IUPAC4-[azepan-2-ylmethyl(methyl)amino]phenol
SMILESCN(CC1CCCCCN1)c1ccc(O)cc1
InChIInChI=1S/C14H22N2O/c1-16(13-6-8-14(17)9-7-13)11-12-5-3-2-4-10-15-12/h6-9,12,15,17H,2-5,10-11H2,1H3
InChIKeyRWPLQMFMRHUYME-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.36
Rot. Bonds3

About 4-[azepan-2-ylmethyl(methyl)amino]phenol

4-[azepan-2-ylmethyl(methyl)amino]phenol (PubChem CID 84697932) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[azepan-2-ylmethyl(methyl)amino]phenol.

Molecular Properties

Compound Name4-[azepan-2-ylmethyl(methyl)amino]phenol
PubChem CID84697932
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[azepan-2-ylmethyl(methyl)amino]phenol
SMILESCN(CC1CCCCCN1)c1ccc(O)cc1
InChIInChI=1S/C14H22N2O/c1-16(13-6-8-14(17)9-7-13)11-12-5-3-2-4-10-15-12/h6-9,12,15,17H,2-5,10-11H2,1H3
InChIKeyRWPLQMFMRHUYME-UHFFFAOYSA-N
XLogP2.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 94333109
N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
CID 106642118
3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol
CID 84674469
4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol
CID 106622859
N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208162
N-(azepan-2-ylmethyl)-2-fluoro-N-methylaniline
CID 64569973
4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol
CID 106622418
2-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]benzene-1,4-diol
CID 106622226
N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide
CID 106618597
2-[(4-hydroxy-N-methylanilino)methyl]cycloheptan-1-one
CID 62613008
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245
4-[azetidin-3-ylmethyl(methyl)amino]phenol
CID 84664189

Frequently Asked Questions

What is the IUPAC name of 4-[azepan-2-ylmethyl(methyl)amino]phenol?
The IUPAC name of 4-[azepan-2-ylmethyl(methyl)amino]phenol (CID 84697932) is 4-[azepan-2-ylmethyl(methyl)amino]phenol.
What is the SMILES notation for 4-[azepan-2-ylmethyl(methyl)amino]phenol?
The canonical SMILES for 4-[azepan-2-ylmethyl(methyl)amino]phenol is CN(CC1CCCCCN1)c1ccc(O)cc1.
What is the InChIKey of 4-[azepan-2-ylmethyl(methyl)amino]phenol?
The InChIKey is RWPLQMFMRHUYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(13-6-8-14(17)9-7-13)11-12-5-3-2-4-10-15-12/h6-9,12,15,17H,2-5,10-11H2,1H3.
What are the key properties of 4-[azepan-2-ylmethyl(methyl)amino]phenol?
4-[azepan-2-ylmethyl(methyl)amino]phenol has a molecular weight of 234.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[azepan-2-ylmethyl(methyl)amino]phenol is sourced from PubChem (CID 84697932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).