4-[(1-phenylhexylamino)methyl]phenol

C19H25NO — CID 115715711

IUPAC4-[(1-phenylhexylamino)methyl]phenol
SMILESCCCCCC(NCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-2-3-5-10-19(17-8-6-4-7-9-17)20-15-16-11-13-18(21)14-12-16/h4,6-9,11-14,19-21H,2-3,5,10,15H2,1H3
InChIKeyRYSBRVBJLQLIFJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.80
Rot. Bonds8

About 4-[(1-phenylhexylamino)methyl]phenol

4-[(1-phenylhexylamino)methyl]phenol (PubChem CID 115715711) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[(1-phenylhexylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(1-phenylhexylamino)methyl]phenol
PubChem CID115715711
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[(1-phenylhexylamino)methyl]phenol
SMILESCCCCCC(NCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-2-3-5-10-19(17-8-6-4-7-9-17)20-15-16-11-13-18(21)14-12-16/h4,6-9,11-14,19-21H,2-3,5,10,15H2,1H3
InChIKeyRYSBRVBJLQLIFJ-UHFFFAOYSA-N
XLogP4.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1-phenylhexylamino)methyl]phenol 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

[4-[(1-phenylpentylamino)methyl]phenyl]methanol
CID 107230172
N-pentyl-1-phenyldecan-1-amine
CID 10380274
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
3-[(1-phenylhexylamino)methyl]pentan-3-ol
CID 65105714
3-(1-phenylhexylamino)propane-1,2-diol
CID 66176548
2-[(4-butoxyphenyl)methylamino]-2-phenylethanol
CID 119134482
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
4-[[(2-ethyl-1-phenylbutyl)amino]methyl]phenol
CID 43734643
3-methyl-4-(1-phenylhexylamino)butan-1-ol
CID 66091324
N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400

Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenylhexylamino)methyl]phenol?
The IUPAC name of 4-[(1-phenylhexylamino)methyl]phenol (CID 115715711) is 4-[(1-phenylhexylamino)methyl]phenol.
What is the SMILES notation for 4-[(1-phenylhexylamino)methyl]phenol?
The canonical SMILES for 4-[(1-phenylhexylamino)methyl]phenol is CCCCCC(NCc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 4-[(1-phenylhexylamino)methyl]phenol?
The InChIKey is RYSBRVBJLQLIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-2-3-5-10-19(17-8-6-4-7-9-17)20-15-16-11-13-18(21)14-12-16/h4,6-9,11-14,19-21H,2-3,5,10,15H2,1H3.
What are the key properties of 4-[(1-phenylhexylamino)methyl]phenol?
4-[(1-phenylhexylamino)methyl]phenol has a molecular weight of 283.42 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenylhexylamino)methyl]phenol is sourced from PubChem (CID 115715711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).