[3-chloro-2-(2-ethylbutoxy)phenyl]methanamine

C13H20ClNO — CID 112607589

IUPAC[3-chloro-2-(2-ethylbutoxy)phenyl]methanamine
SMILESCCC(CC)COc1c(Cl)cccc1CN
InChIInChI=1S/C13H20ClNO/c1-3-10(4-2)9-16-13-11(8-15)6-5-7-12(13)14/h5-7,10H,3-4,8-9,15H2,1-2H3
InChIKeyVDLIATAPYXEJCR-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.61
Rot. Bonds6

About [3-chloro-2-(2-ethylbutoxy)phenyl]methanamine

[3-chloro-2-(2-ethylbutoxy)phenyl]methanamine (PubChem CID 112607589) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is [3-chloro-2-(2-ethylbutoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(2-ethylbutoxy)phenyl]methanamine
PubChem CID112607589
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name[3-chloro-2-(2-ethylbutoxy)phenyl]methanamine
SMILESCCC(CC)COc1c(Cl)cccc1CN
InChIInChI=1S/C13H20ClNO/c1-3-10(4-2)9-16-13-11(8-15)6-5-7-12(13)14/h5-7,10H,3-4,8-9,15H2,1-2H3
InChIKeyVDLIATAPYXEJCR-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol
CID 112607693
1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol
CID 112607872
1-[2-(aminomethyl)-6-chlorophenoxy]-3-propan-2-yloxypropan-2-ol
CID 112607686
3-chloro-2-(2-ethylbutoxy)benzaldehyde
CID 112611417
[2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine
CID 115951901
2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine
CID 112607689
1-[3-chloro-2-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 112615794
1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol
CID 103156822
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112607866
methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate
CID 112607628
[3-chloro-2-(4,4,4-trifluorobutoxy)phenyl]methanamine
CID 112607694

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(2-ethylbutoxy)phenyl]methanamine?
The IUPAC name of [3-chloro-2-(2-ethylbutoxy)phenyl]methanamine (CID 112607589) is [3-chloro-2-(2-ethylbutoxy)phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-(2-ethylbutoxy)phenyl]methanamine?
The canonical SMILES for [3-chloro-2-(2-ethylbutoxy)phenyl]methanamine is CCC(CC)COc1c(Cl)cccc1CN.
What is the InChIKey of [3-chloro-2-(2-ethylbutoxy)phenyl]methanamine?
The InChIKey is VDLIATAPYXEJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-3-10(4-2)9-16-13-11(8-15)6-5-7-12(13)14/h5-7,10H,3-4,8-9,15H2,1-2H3.
What are the key properties of [3-chloro-2-(2-ethylbutoxy)phenyl]methanamine?
[3-chloro-2-(2-ethylbutoxy)phenyl]methanamine has a molecular weight of 241.76 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(2-ethylbutoxy)phenyl]methanamine is sourced from PubChem (CID 112607589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).