4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol

C14H20ClNO2 — CID 82980475

IUPAC4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
SMILESCN(Cc1cc(Cl)ccc1O)CC1CCOCC1
InChIInChI=1S/C14H20ClNO2/c1-16(9-11-4-6-18-7-5-11)10-12-8-13(15)2-3-14(12)17/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyGDCQYYIVWSXNAE-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.90
Rot. Bonds4

About 4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol

4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol (PubChem CID 82980475) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
PubChem CID82980475
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
SMILESCN(Cc1cc(Cl)ccc1O)CC1CCOCC1
InChIInChI=1S/C14H20ClNO2/c1-16(9-11-4-6-18-7-5-11)10-12-8-13(15)2-3-14(12)17/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyGDCQYYIVWSXNAE-UHFFFAOYSA-N
XLogP2.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]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-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 79582408
5-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 55227188
4-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977579
4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 104645244
2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 107694066
[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]boronic acid
CID 63713504
4-fluoro-3-[[methyl(oxan-4-ylmethyl)amino]methyl]benzenecarbothioamide
CID 63712028
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
[4-chloro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol
CID 114845647
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 77083300
1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 82964387
2-[[(4-aminocyclohexyl)-methylamino]methyl]-4-chlorophenol
CID 79114977

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol (CID 82980475) is 4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol is CN(Cc1cc(Cl)ccc1O)CC1CCOCC1.
What is the InChIKey of 4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol?
The InChIKey is GDCQYYIVWSXNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16(9-11-4-6-18-7-5-11)10-12-8-13(15)2-3-14(12)17/h2-3,8,11,17H,4-7,9-10H2,1H3.
What are the key properties of 4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol?
4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol has a molecular weight of 269.77 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 82980475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).