3-methyl-4-[(4-methylcycloheptyl)amino]phenol

C15H23NO — CID 65080297

IUPAC3-methyl-4-[(4-methylcycloheptyl)amino]phenol
SMILESCc1cc(O)ccc1NC1CCCC(C)CC1
InChIInChI=1S/C15H23NO/c1-11-4-3-5-13(7-6-11)16-15-9-8-14(17)10-12(15)2/h8-11,13,16-17H,3-7H2,1-2H3
InChIKeyLLCKIJGSRIBJNE-UHFFFAOYSA-N
MW233.36 g/mol
LogP4.08
Rot. Bonds2

About 3-methyl-4-[(4-methylcycloheptyl)amino]phenol

3-methyl-4-[(4-methylcycloheptyl)amino]phenol (PubChem CID 65080297) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-methyl-4-[(4-methylcycloheptyl)amino]phenol.

Molecular Properties

Compound Name3-methyl-4-[(4-methylcycloheptyl)amino]phenol
PubChem CID65080297
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-methyl-4-[(4-methylcycloheptyl)amino]phenol
SMILESCc1cc(O)ccc1NC1CCCC(C)CC1
InChIInChI=1S/C15H23NO/c1-11-4-3-5-13(7-6-11)16-15-9-8-14(17)10-12(15)2/h8-11,13,16-17H,3-7H2,1-2H3
InChIKeyLLCKIJGSRIBJNE-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol
CID 64750853
4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
CID 63451354
N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine
CID 65080810
2-chloro-5-methyl-4-N-(4-methylcycloheptyl)benzene-1,4-diamine
CID 114099091
4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43111567
2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline
CID 55193112
N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine
CID 107631855
4-(cyclobutylamino)-3-methylbenzenecarbothioamide
CID 62415378
5-fluoro-2-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101996
3-amino-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101708
N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide
CID 65080069
N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 65080494

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-methylcycloheptyl)amino]phenol?
The IUPAC name of 3-methyl-4-[(4-methylcycloheptyl)amino]phenol (CID 65080297) is 3-methyl-4-[(4-methylcycloheptyl)amino]phenol.
What is the SMILES notation for 3-methyl-4-[(4-methylcycloheptyl)amino]phenol?
The canonical SMILES for 3-methyl-4-[(4-methylcycloheptyl)amino]phenol is Cc1cc(O)ccc1NC1CCCC(C)CC1.
What is the InChIKey of 3-methyl-4-[(4-methylcycloheptyl)amino]phenol?
The InChIKey is LLCKIJGSRIBJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-4-3-5-13(7-6-11)16-15-9-8-14(17)10-12(15)2/h8-11,13,16-17H,3-7H2,1-2H3.
What are the key properties of 3-methyl-4-[(4-methylcycloheptyl)amino]phenol?
3-methyl-4-[(4-methylcycloheptyl)amino]phenol has a molecular weight of 233.36 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-methylcycloheptyl)amino]phenol is sourced from PubChem (CID 65080297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).