4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol

C12H16ClNO2 — CID 82726060

IUPAC4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol
SMILESCC1OCCC1NCc1cc(Cl)ccc1O
InChIInChI=1S/C12H16ClNO2/c1-8-11(4-5-16-8)14-7-9-6-10(13)2-3-12(9)15/h2-3,6,8,11,14-15H,4-5,7H2,1H3
InChIKeyJJUUGHCHVYSPTI-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.31
Rot. Bonds3

About 4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol

4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol (PubChem CID 82726060) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol
PubChem CID82726060
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol
SMILESCC1OCCC1NCc1cc(Cl)ccc1O
InChIInChI=1S/C12H16ClNO2/c1-8-11(4-5-16-8)14-7-9-6-10(13)2-3-12(9)15/h2-3,6,8,11,14-15H,4-5,7H2,1H3
InChIKeyJJUUGHCHVYSPTI-UHFFFAOYSA-N
XLogP2.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278120
(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 97358120
4-bromo-3-[[(2-methyloxolan-3-yl)amino]methyl]phenol
CID 115868288
N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 75525158
2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine
CID 82726551
4-chloro-2-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 43317707
2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol
CID 113341265
N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335523
2-[[(4-aminocyclohexyl)amino]methyl]-4-chlorophenol
CID 55062770
(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 97358207
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
CID 115968324
3-chloro-N'-hydroxy-4-[[(2-methyloxolan-3-yl)amino]methyl]benzenecarboximidamide
CID 102667392

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol (CID 82726060) is 4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol is CC1OCCC1NCc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol?
The InChIKey is JJUUGHCHVYSPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8-11(4-5-16-8)14-7-9-6-10(13)2-3-12(9)15/h2-3,6,8,11,14-15H,4-5,7H2,1H3.
What are the key properties of 4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol?
4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol has a molecular weight of 241.72 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 82726060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).