[2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol

C14H20ClNO2 — CID 61431905

IUPAC[2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol
SMILESCN(CC1CCCCO1)c1cccc(Cl)c1CO
InChIInChI=1S/C14H20ClNO2/c1-16(9-11-5-2-3-8-18-11)14-7-4-6-13(15)12(14)10-17/h4,6-7,11,17H,2-3,5,8-10H2,1H3
InChIKeyKIWYNOBMBVCQJF-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.84
Rot. Bonds4

About [2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol

[2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol (PubChem CID 61431905) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol
PubChem CID61431905
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol
SMILESCN(CC1CCCCO1)c1cccc(Cl)c1CO
InChIInChI=1S/C14H20ClNO2/c1-16(9-11-5-2-3-8-18-11)14-7-4-6-13(15)12(14)10-17/h4,6-7,11,17H,2-3,5,8-10H2,1H3
InChIKeyKIWYNOBMBVCQJF-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
CID 61432390
2-(bromomethyl)-3-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 107081245
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61431824
2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432443
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
[3-chloro-6-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61436346
2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 79522764
3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]benzene-1,2-dicarbonitrile
CID 124889480
[5-methyl-2-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
CID 114054435
4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 81165783
3-chloro-2-(chloromethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63713629
5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
CID 62493777

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol?
The IUPAC name of [2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol (CID 61431905) is [2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol is CN(CC1CCCCO1)c1cccc(Cl)c1CO.
What is the InChIKey of [2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol?
The InChIKey is KIWYNOBMBVCQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16(9-11-5-2-3-8-18-11)14-7-4-6-13(15)12(14)10-17/h4,6-7,11,17H,2-3,5,8-10H2,1H3.
What are the key properties of [2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol?
[2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol has a molecular weight of 269.77 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol is sourced from PubChem (CID 61431905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).