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

C13H18ClNO2 — CID 61432390

IUPAC[2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
SMILESCN(CC1CCCO1)c1cccc(Cl)c1CO
InChIInChI=1S/C13H18ClNO2/c1-15(8-10-4-3-7-17-10)13-6-2-5-12(14)11(13)9-16/h2,5-6,10,16H,3-4,7-9H2,1H3
InChIKeyHLEHZIOETWLNFR-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.45
Rot. Bonds4

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

[2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol (PubChem CID 61432390) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is [2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
PubChem CID61432390
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name[2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
SMILESCN(CC1CCCO1)c1cccc(Cl)c1CO
InChIInChI=1S/C13H18ClNO2/c1-15(8-10-4-3-7-17-10)13-6-2-5-12(14)11(13)9-16/h2,5-6,10,16H,3-4,7-9H2,1H3
InChIKeyHLEHZIOETWLNFR-UHFFFAOYSA-N
XLogP2.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-6-[methyl(oxan-2-ylmethyl)amino]phenyl]methanol
CID 61431905
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
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
2-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432443
[2-[methyl(oxolan-2-ylmethyl)amino]-5-nitrophenyl]methanol
CID 61431805
N-methyl-2-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 61431971
3-chloro-2-(chloromethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63713629
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81149095

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol?
The IUPAC name of [2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol (CID 61432390) is [2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol is CN(CC1CCCO1)c1cccc(Cl)c1CO.
What is the InChIKey of [2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol?
The InChIKey is HLEHZIOETWLNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-15(8-10-4-3-7-17-10)13-6-2-5-12(14)11(13)9-16/h2,5-6,10,16H,3-4,7-9H2,1H3.
What are the key properties of [2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol?
[2-chloro-6-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol has a molecular weight of 255.74 g/mol, XLogP of 2.45, 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(oxolan-2-ylmethyl)amino]phenyl]methanol is sourced from PubChem (CID 61432390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).