[4-(azepan-1-yl)-2-methylphenyl]methanol

C14H21NO — CID 62136548

IUPAC[4-(azepan-1-yl)-2-methylphenyl]methanol
SMILESCc1cc(N2CCCCCC2)ccc1CO
InChIInChI=1S/C14H21NO/c1-12-10-14(7-6-13(12)11-16)15-8-4-2-3-5-9-15/h6-7,10,16H,2-5,8-9,11H2,1H3
InChIKeyLCRGWUXSZTXSCJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.87
Rot. Bonds2

About [4-(azepan-1-yl)-2-methylphenyl]methanol

[4-(azepan-1-yl)-2-methylphenyl]methanol (PubChem CID 62136548) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [4-(azepan-1-yl)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(azepan-1-yl)-2-methylphenyl]methanol
PubChem CID62136548
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[4-(azepan-1-yl)-2-methylphenyl]methanol
SMILESCc1cc(N2CCCCCC2)ccc1CO
InChIInChI=1S/C14H21NO/c1-12-10-14(7-6-13(12)11-16)15-8-4-2-3-5-9-15/h6-7,10,16H,2-5,8-9,11H2,1H3
InChIKeyLCRGWUXSZTXSCJ-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze [4-(azepan-1-yl)-2-methylphenyl]methanol 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

1-[4-[4-(hydroxymethyl)-3-methylphenyl]-1,4-diazepan-1-yl]ethanone
CID 62135554
[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol
CID 62134517
[4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol
CID 62135741
[2-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]methanol
CID 63152797
(2-methoxy-5-piperidin-1-ylphenyl)methanol
CID 70229498
N-[[4-(azocan-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62134161
2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide
CID 154577359
[4-(3-methoxypyrrolidin-1-yl)-2-methylphenyl]methanol
CID 103535412
1-[3-(fluoromethyl)-4-methylphenyl]piperidine
CID 174505222
1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide
CID 55039017
1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine
CID 170863747
[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 62134365

Frequently Asked Questions

What is the IUPAC name of [4-(azepan-1-yl)-2-methylphenyl]methanol?
The IUPAC name of [4-(azepan-1-yl)-2-methylphenyl]methanol (CID 62136548) is [4-(azepan-1-yl)-2-methylphenyl]methanol.
What is the SMILES notation for [4-(azepan-1-yl)-2-methylphenyl]methanol?
The canonical SMILES for [4-(azepan-1-yl)-2-methylphenyl]methanol is Cc1cc(N2CCCCCC2)ccc1CO.
What is the InChIKey of [4-(azepan-1-yl)-2-methylphenyl]methanol?
The InChIKey is LCRGWUXSZTXSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-10-14(7-6-13(12)11-16)15-8-4-2-3-5-9-15/h6-7,10,16H,2-5,8-9,11H2,1H3.
What are the key properties of [4-(azepan-1-yl)-2-methylphenyl]methanol?
[4-(azepan-1-yl)-2-methylphenyl]methanol has a molecular weight of 219.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepan-1-yl)-2-methylphenyl]methanol is sourced from PubChem (CID 62136548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).