4-methyl-2-[methyl(nonan-5-yl)amino]phenol

C17H29NO — CID 140988697

IUPAC4-methyl-2-[methyl(nonan-5-yl)amino]phenol
SMILESCCCCC(CCCC)N(C)c1cc(C)ccc1O
InChIInChI=1S/C17H29NO/c1-5-7-9-15(10-8-6-2)18(4)16-13-14(3)11-12-17(16)19/h11-13,15,19H,5-10H2,1-4H3
InChIKeyIDWHRNRSQKBYQK-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.89
Rot. Bonds8

About 4-methyl-2-[methyl(nonan-5-yl)amino]phenol

4-methyl-2-[methyl(nonan-5-yl)amino]phenol (PubChem CID 140988697) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-methyl-2-[methyl(nonan-5-yl)amino]phenol.

Molecular Properties

Compound Name4-methyl-2-[methyl(nonan-5-yl)amino]phenol
PubChem CID140988697
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-methyl-2-[methyl(nonan-5-yl)amino]phenol
SMILESCCCCC(CCCC)N(C)c1cc(C)ccc1O
InChIInChI=1S/C17H29NO/c1-5-7-9-15(10-8-6-2)18(4)16-13-14(3)11-12-17(16)19/h11-13,15,19H,5-10H2,1-4H3
InChIKeyIDWHRNRSQKBYQK-UHFFFAOYSA-N
XLogP4.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol
CID 102264381
2-[(1R)-1-hydroxyundecyl]-4-methylphenol
CID 98151788
2-[1-(hexan-2-ylamino)ethyl]-5-methylphenol
CID 62196420
2-[(1R)-1-aminohexyl]-4-methylphenol;hydrochloride
CID 171202311
4-methyl-2-[[methyl(pentyl)amino]methyl]phenol
CID 82976648
butane;2,4-dimethylphenol;2-methylpentane
CID 143520980
2-(5-butyl-2-hydroxyphenyl)-4-methylphenol
CID 58663399
2-(C-heptan-3-yl-N-hydroxycarbonimidoyl)-4-methylphenol
CID 4160312
4-methyl-2-[methyl(pentan-2-yl)amino]benzonitrile
CID 62302957
2-(4-aminoheptyl)-4-methylphenol
CID 83922824
4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976772
2-amino-N-(2,4-dimethylphenyl)-N-methylhexanamide
CID 113227828

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(nonan-5-yl)amino]phenol?
The IUPAC name of 4-methyl-2-[methyl(nonan-5-yl)amino]phenol (CID 140988697) is 4-methyl-2-[methyl(nonan-5-yl)amino]phenol.
What is the SMILES notation for 4-methyl-2-[methyl(nonan-5-yl)amino]phenol?
The canonical SMILES for 4-methyl-2-[methyl(nonan-5-yl)amino]phenol is CCCCC(CCCC)N(C)c1cc(C)ccc1O.
What is the InChIKey of 4-methyl-2-[methyl(nonan-5-yl)amino]phenol?
The InChIKey is IDWHRNRSQKBYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-7-9-15(10-8-6-2)18(4)16-13-14(3)11-12-17(16)19/h11-13,15,19H,5-10H2,1-4H3.
What are the key properties of 4-methyl-2-[methyl(nonan-5-yl)amino]phenol?
4-methyl-2-[methyl(nonan-5-yl)amino]phenol has a molecular weight of 263.43 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(nonan-5-yl)amino]phenol is sourced from PubChem (CID 140988697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).