4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol

C14H20ClNO2 — CID 82977582

IUPAC4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol
SMILESCC(c1cc(Cl)ccc1O)N(C)C1CCOCC1
InChIInChI=1S/C14H20ClNO2/c1-10(13-9-11(15)3-4-14(13)17)16(2)12-5-7-18-8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3
InChIKeyUILRNXANLIVGCB-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.22
Rot. Bonds3

About 4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol

4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol (PubChem CID 82977582) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol
PubChem CID82977582
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol
SMILESCC(c1cc(Cl)ccc1O)N(C)C1CCOCC1
InChIInChI=1S/C14H20ClNO2/c1-10(13-9-11(15)3-4-14(13)17)16(2)12-5-7-18-8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3
InChIKeyUILRNXANLIVGCB-UHFFFAOYSA-N
XLogP3.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.22
H-Bond Donors ≤ 51
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-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol
CID 82983699
4-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977579
3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol
CID 107721166
4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol
CID 82974436
4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82985965
4-bromo-2-[1-[cyclohexyl(methyl)amino]ethyl]phenol
CID 82974466
1-(2-bromo-5-chlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 66156239
4-chloro-2-[1-[methyl(2-methylbutyl)amino]ethyl]phenol
CID 82977822
4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122467
4-chloro-2-[1-[ethyl(propan-2-yl)amino]ethyl]phenol
CID 82976841
4-chloro-2-[1-[2-(dimethylamino)ethyl-methylamino]ethyl]phenol
CID 82981354
2-[1-[methyl(oxolan-3-yl)amino]ethyl]benzene-1,3-diol
CID 107712028

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol (CID 82977582) is 4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol is CC(c1cc(Cl)ccc1O)N(C)C1CCOCC1.
What is the InChIKey of 4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol?
The InChIKey is UILRNXANLIVGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(13-9-11(15)3-4-14(13)17)16(2)12-5-7-18-8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3.
What are the key properties of 4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol?
4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol has a molecular weight of 269.77 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 82977582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).