[2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine

C13H18ClNO2 — CID 103132539

IUPAC[2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
SMILESCC1CCC(COc2ccc(CN)c(Cl)c2)O1
InChIInChI=1S/C13H18ClNO2/c1-9-2-4-12(17-9)8-16-11-5-3-10(7-15)13(14)6-11/h3,5-6,9,12H,2,4,7-8,15H2,1H3
InChIKeyROPTXQMMZSCTLW-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.74
Rot. Bonds4

About [2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine

[2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine (PubChem CID 103132539) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is [2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
PubChem CID103132539
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name[2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
SMILESCC1CCC(COc2ccc(CN)c(Cl)c2)O1
InChIInChI=1S/C13H18ClNO2/c1-9-2-4-12(17-9)8-16-11-5-3-10(7-15)13(14)6-11/h3,5-6,9,12H,2,4,7-8,15H2,1H3
InChIKeyROPTXQMMZSCTLW-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134259
(2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane
CID 130474408
2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane
CID 103135320
(1S)-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133228
2-bromo-5-[(5-methyloxolan-2-yl)methoxy]benzaldehyde
CID 103134514
2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103143092
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
1-[5-[(5-methyloxolan-2-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 103136650
(1R)-5-[(5-methyloxolan-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091323
potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135581
[5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
CID 62452869
N-methyl-1-[4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
CID 103132805

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine?
The IUPAC name of [2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine (CID 103132539) is [2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine is CC1CCC(COc2ccc(CN)c(Cl)c2)O1.
What is the InChIKey of [2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine?
The InChIKey is ROPTXQMMZSCTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9-2-4-12(17-9)8-16-11-5-3-10(7-15)13(14)6-11/h3,5-6,9,12H,2,4,7-8,15H2,1H3.
What are the key properties of [2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine?
[2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine has a molecular weight of 255.75 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 103132539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).