2-chloro-4-[(oxan-3-ylamino)methyl]phenol

C12H16ClNO2 — CID 63363487

IUPAC2-chloro-4-[(oxan-3-ylamino)methyl]phenol
SMILESOc1ccc(CNC2CCCOC2)cc1Cl
InChIInChI=1S/C12H16ClNO2/c13-11-6-9(3-4-12(11)15)7-14-10-2-1-5-16-8-10/h3-4,6,10,14-15H,1-2,5,7-8H2
InChIKeyBABLOVVLJJUTFZ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.31
Rot. Bonds3

About 2-chloro-4-[(oxan-3-ylamino)methyl]phenol

2-chloro-4-[(oxan-3-ylamino)methyl]phenol (PubChem CID 63363487) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-4-[(oxan-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(oxan-3-ylamino)methyl]phenol
PubChem CID63363487
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-4-[(oxan-3-ylamino)methyl]phenol
SMILESOc1ccc(CNC2CCCOC2)cc1Cl
InChIInChI=1S/C12H16ClNO2/c13-11-6-9(3-4-12(11)15)7-14-10-2-1-5-16-8-10/h3-4,6,10,14-15H,1-2,5,7-8H2
InChIKeyBABLOVVLJJUTFZ-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

Analyze 2-chloro-4-[(oxan-3-ylamino)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-bromo-2-[(oxan-3-ylamino)methyl]phenol;hydrochloride
CID 115616396
2-chloro-4-[[(1,1-dioxothian-3-yl)amino]methyl]phenol
CID 63922713
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]oxan-3-amine
CID 63360473
3-[(oxan-3-ylamino)methyl]benzoic acid
CID 103251620
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine
CID 113328356
(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine
CID 126999806
N-(1H-pyrrol-3-ylmethyl)oxan-3-amine
CID 66409421
N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine
CID 66161345
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine
CID 63360053

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(oxan-3-ylamino)methyl]phenol?
The IUPAC name of 2-chloro-4-[(oxan-3-ylamino)methyl]phenol (CID 63363487) is 2-chloro-4-[(oxan-3-ylamino)methyl]phenol.
What is the SMILES notation for 2-chloro-4-[(oxan-3-ylamino)methyl]phenol?
The canonical SMILES for 2-chloro-4-[(oxan-3-ylamino)methyl]phenol is Oc1ccc(CNC2CCCOC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(oxan-3-ylamino)methyl]phenol?
The InChIKey is BABLOVVLJJUTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-11-6-9(3-4-12(11)15)7-14-10-2-1-5-16-8-10/h3-4,6,10,14-15H,1-2,5,7-8H2.
What are the key properties of 2-chloro-4-[(oxan-3-ylamino)methyl]phenol?
2-chloro-4-[(oxan-3-ylamino)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 2-chloro-4-[(oxan-3-ylamino)methyl]phenol is sourced from PubChem (CID 63363487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).