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

C14H20ClNO2 — CID 114845647

IUPAC[4-chloro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol
SMILESCN(CC1CCOCC1)c1cc(Cl)ccc1CO
InChIInChI=1S/C14H20ClNO2/c1-16(9-11-4-6-18-7-5-11)14-8-13(15)3-2-12(14)10-17/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyQJNZVHOKRQLDRT-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.70
Rot. Bonds4

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

[4-chloro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol (PubChem CID 114845647) 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]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol
PubChem CID114845647
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[4-chloro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol
SMILESCN(CC1CCOCC1)c1cc(Cl)ccc1CO
InChIInChI=1S/C14H20ClNO2/c1-16(9-11-4-6-18-7-5-11)14-8-13(15)3-2-12(14)10-17/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyQJNZVHOKRQLDRT-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol?
The IUPAC name of [4-chloro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol (CID 114845647) is [4-chloro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol.
What is the SMILES notation for [4-chloro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol?
The canonical SMILES for [4-chloro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol is CN(CC1CCOCC1)c1cc(Cl)ccc1CO.
What is the InChIKey of [4-chloro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol?
The InChIKey is QJNZVHOKRQLDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16(9-11-4-6-18-7-5-11)14-8-13(15)3-2-12(14)10-17/h2-3,8,11,17H,4-7,9-10H2,1H3.
What are the key properties of [4-chloro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol?
[4-chloro-2-[methyl(oxan-4-ylmethyl)amino]phenyl]methanol has a molecular weight of 269.77 g/mol, XLogP of 2.70, 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]phenyl]methanol is sourced from PubChem (CID 114845647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).