[2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine

C14H20ClNO2 — CID 116520606

IUPAC[2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine
SMILESCC1(C)CCC(COc2cccc(Cl)c2CN)O1
InChIInChI=1S/C14H20ClNO2/c1-14(2)7-6-10(18-14)9-17-13-5-3-4-12(15)11(13)8-16/h3-5,10H,6-9,16H2,1-2H3
InChIKeySCCNBKRFIWSMMH-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.14
Rot. Bonds4

About [2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine

[2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine (PubChem CID 116520606) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine
PubChem CID116520606
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine
SMILESCC1(C)CCC(COc2cccc(Cl)c2CN)O1
InChIInChI=1S/C14H20ClNO2/c1-14(2)7-6-10(18-14)9-17-13-5-3-4-12(15)11(13)8-16/h3-5,10H,6-9,16H2,1-2H3
InChIKeySCCNBKRFIWSMMH-UHFFFAOYSA-N
XLogP3.14
TPSA44.48 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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
CID 116524402
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane
CID 116522378
[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-trifluoroboranuide
CID 116522447
5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane
CID 116522368
2-[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanol
CID 107713050
[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine
CID 102896074
(5,5-dimethyloxolan-2-yl)methyl 2-amino-6-chlorobenzoate
CID 116523259
5-[(2-chloro-5-nitrophenoxy)methyl]-2,2-dimethyloxolane
CID 116525449
[2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896073
1-[5-chloro-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520800
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline
CID 116520626

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine?
The IUPAC name of [2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine (CID 116520606) is [2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine is CC1(C)CCC(COc2cccc(Cl)c2CN)O1.
What is the InChIKey of [2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine?
The InChIKey is SCCNBKRFIWSMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-14(2)7-6-10(18-14)9-17-13-5-3-4-12(15)11(13)8-16/h3-5,10H,6-9,16H2,1-2H3.
What are the key properties of [2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine?
[2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine has a molecular weight of 269.77 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 116520606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).