3-[methyl-(2-methylcyclohexyl)amino]phenol

C14H21NO — CID 139614787

IUPAC3-[methyl-(2-methylcyclohexyl)amino]phenol
SMILESCC1CCCCC1N(C)c1cccc(O)c1
InChIInChI=1S/C14H21NO/c1-11-6-3-4-9-14(11)15(2)12-7-5-8-13(16)10-12/h5,7-8,10-11,14,16H,3-4,6,9H2,1-2H3
InChIKeyQSADYWWMBDABLX-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.41
Rot. Bonds2

About 3-[methyl-(2-methylcyclohexyl)amino]phenol

3-[methyl-(2-methylcyclohexyl)amino]phenol (PubChem CID 139614787) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[methyl-(2-methylcyclohexyl)amino]phenol.

Molecular Properties

Compound Name3-[methyl-(2-methylcyclohexyl)amino]phenol
PubChem CID139614787
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-[methyl-(2-methylcyclohexyl)amino]phenol
SMILESCC1CCCCC1N(C)c1cccc(O)c1
InChIInChI=1S/C14H21NO/c1-11-6-3-4-9-14(11)15(2)12-7-5-8-13(16)10-12/h5,7-8,10-11,14,16H,3-4,6,9H2,1-2H3
InChIKeyQSADYWWMBDABLX-UHFFFAOYSA-N
XLogP3.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 81258647
1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine
CID 62912657
3-[di(cyclobutyl)amino]phenol
CID 175178677
3-[cyclohexyl(propyl)amino]phenol
CID 57226980
1-[2-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone
CID 55005375
1-[2-fluoro-6-[methyl-(2-methylcyclohexyl)amino]phenyl]ethanone
CID 54942906
3-cyclopentyl-1-(3-hydroxyphenyl)-1-methylurea
CID 107734155
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
CID 113295421
2-[1-[methyl-(2-methylcyclohexyl)amino]ethyl]benzene-1,3-diol
CID 107711831
4-[methyl-(2-methylcyclohexyl)amino]benzenecarbothioamide
CID 55005499
3-(dimethylamino)phenol;ethane
CID 174543999
2-[1-(ethylamino)ethyl]-5-[methyl-(2-methylcyclohexyl)amino]phenol
CID 79590748

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-methylcyclohexyl)amino]phenol?
The IUPAC name of 3-[methyl-(2-methylcyclohexyl)amino]phenol (CID 139614787) is 3-[methyl-(2-methylcyclohexyl)amino]phenol.
What is the SMILES notation for 3-[methyl-(2-methylcyclohexyl)amino]phenol?
The canonical SMILES for 3-[methyl-(2-methylcyclohexyl)amino]phenol is CC1CCCCC1N(C)c1cccc(O)c1.
What is the InChIKey of 3-[methyl-(2-methylcyclohexyl)amino]phenol?
The InChIKey is QSADYWWMBDABLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-6-3-4-9-14(11)15(2)12-7-5-8-13(16)10-12/h5,7-8,10-11,14,16H,3-4,6,9H2,1-2H3.
What are the key properties of 3-[methyl-(2-methylcyclohexyl)amino]phenol?
3-[methyl-(2-methylcyclohexyl)amino]phenol has a molecular weight of 219.33 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-methylcyclohexyl)amino]phenol is sourced from PubChem (CID 139614787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).