3-chloro-2-(2-ethylhexoxymethyl)aniline

C15H24ClNO — CID 63747486

IUPAC3-chloro-2-(2-ethylhexoxymethyl)aniline
SMILESCCCCC(CC)COCc1c(N)cccc1Cl
InChIInChI=1S/C15H24ClNO/c1-3-5-7-12(4-2)10-18-11-13-14(16)8-6-9-15(13)17/h6,8-9,12H,3-5,7,10-11,17H2,1-2H3
InChIKeyHHAKQOAYYUYWGR-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.66
Rot. Bonds8

About 3-chloro-2-(2-ethylhexoxymethyl)aniline

3-chloro-2-(2-ethylhexoxymethyl)aniline (PubChem CID 63747486) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 3-chloro-2-(2-ethylhexoxymethyl)aniline.

Molecular Properties

Compound Name3-chloro-2-(2-ethylhexoxymethyl)aniline
PubChem CID63747486
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name3-chloro-2-(2-ethylhexoxymethyl)aniline
SMILESCCCCC(CC)COCc1c(N)cccc1Cl
InChIInChI=1S/C15H24ClNO/c1-3-5-7-12(4-2)10-18-11-13-14(16)8-6-9-15(13)17/h6,8-9,12H,3-5,7,10-11,17H2,1-2H3
InChIKeyHHAKQOAYYUYWGR-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylhexoxymethyl)-3-fluoroaniline
CID 63331598
2-ethylhexyl 2-amino-6-chlorobenzoate
CID 63663634
2-amino-6-(2-ethylhexoxymethyl)benzoic acid
CID 104825406
methyl 2-amino-6-(2-ethylhexoxymethyl)benzoate
CID 104825407
2-butyl-3-chloroaniline
CID 14012386
3,6-dichloro-2-(2-ethylhexoxymethyl)pyridine
CID 63479122
3-chloro-2-(2-ethylhexylsulfinyl)aniline
CID 81185827
3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline
CID 104560092
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577
1-bromo-3-(2-ethylhexoxymethyl)-2,4-difluorobenzene
CID 114166530
3-bromo-4-(2-ethylhexoxymethyl)aniline
CID 54918608

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-ethylhexoxymethyl)aniline?
The IUPAC name of 3-chloro-2-(2-ethylhexoxymethyl)aniline (CID 63747486) is 3-chloro-2-(2-ethylhexoxymethyl)aniline.
What is the SMILES notation for 3-chloro-2-(2-ethylhexoxymethyl)aniline?
The canonical SMILES for 3-chloro-2-(2-ethylhexoxymethyl)aniline is CCCCC(CC)COCc1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-(2-ethylhexoxymethyl)aniline?
The InChIKey is HHAKQOAYYUYWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-3-5-7-12(4-2)10-18-11-13-14(16)8-6-9-15(13)17/h6,8-9,12H,3-5,7,10-11,17H2,1-2H3.
What are the key properties of 3-chloro-2-(2-ethylhexoxymethyl)aniline?
3-chloro-2-(2-ethylhexoxymethyl)aniline has a molecular weight of 269.82 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-ethylhexoxymethyl)aniline is sourced from PubChem (CID 63747486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).