2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol

C14H23NO2 — CID 83922921

IUPAC2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol
SMILESCCC(N)C(O)CC(C)c1cc(C)ccc1O
InChIInChI=1S/C14H23NO2/c1-4-12(15)14(17)8-10(3)11-7-9(2)5-6-13(11)16/h5-7,10,12,14,16-17H,4,8,15H2,1-3H3
InChIKeyMNOVYCHTBVBQIA-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.29
Rot. Bonds5

About 2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol

2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol (PubChem CID 83922921) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol.

Molecular Properties

Compound Name2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol
PubChem CID83922921
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol
SMILESCCC(N)C(O)CC(C)c1cc(C)ccc1O
InChIInChI=1S/C14H23NO2/c1-4-12(15)14(17)8-10(3)11-7-9(2)5-6-13(11)16/h5-7,10,12,14,16-17H,4,8,15H2,1-3H3
InChIKeyMNOVYCHTBVBQIA-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-(2,4-dimethylphenyl)octan-4-ol
CID 83928076
5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol
CID 83931688
2-(6-aminoheptan-3-yl)-4-methylphenol
CID 83922878
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 55293346
2-[2-amino-4-(dimethylamino)-1-hydroxybutyl]-4-methylphenol
CID 83922845
2-[(1R)-1,3-diaminopropyl]-4-methylphenol
CID 130972220
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol
CID 83943371
5-amino-2-(3-tert-butyl-4-methylphenyl)heptan-4-ol
CID 83939260
2-[(1S,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]-4-methylphenol
CID 171237598
4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469
5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol
CID 83922311
2-[(1R)-1-aminohexyl]-4-methylphenol;hydrochloride
CID 171202311

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol?
The IUPAC name of 2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol (CID 83922921) is 2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol.
What is the SMILES notation for 2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol?
The canonical SMILES for 2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol is CCC(N)C(O)CC(C)c1cc(C)ccc1O.
What is the InChIKey of 2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol?
The InChIKey is MNOVYCHTBVBQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-12(15)14(17)8-10(3)11-7-9(2)5-6-13(11)16/h5-7,10,12,14,16-17H,4,8,15H2,1-3H3.
What are the key properties of 2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol?
2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol has a molecular weight of 237.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol is sourced from PubChem (CID 83922921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).