[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine

C17H29NO — CID 55191930

IUPAC[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
SMILESCCCCC(CC)COc1c(C)cc(CN)cc1C
InChIInChI=1S/C17H29NO/c1-5-7-8-15(6-2)12-19-17-13(3)9-16(11-18)10-14(17)4/h9-10,15H,5-8,11-12,18H2,1-4H3
InChIKeyIBBNCLRWVHDVMM-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.36
Rot. Bonds8

About [4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine

[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine (PubChem CID 55191930) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is [4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
PubChem CID55191930
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
SMILESCCCCC(CC)COc1c(C)cc(CN)cc1C
InChIInChI=1S/C17H29NO/c1-5-7-8-15(6-2)12-19-17-13(3)9-16(11-18)10-14(17)4/h9-10,15H,5-8,11-12,18H2,1-4H3
InChIKeyIBBNCLRWVHDVMM-UHFFFAOYSA-N
XLogP4.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
1-chloro-3-[3-chloro-2-(2-ethylhexoxy)-6-methylphenyl]-2-(2-ethylhexoxy)-4-methylbenzene
CID 21028376
2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine
CID 112614853
[4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 63484790
CID 174926465
CID 174926465
3-(2-ethylhexoxy)-4-methylthiophene
CID 23049597
4,8-bis(2-ethylhexoxy)thieno[2,3-f][1]benzothiole-2,6-diamine
CID 123611737
5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene
CID 79887959
1-[4-(2-ethylbutoxy)-3,5-dimethylphenyl]-N-methylmethanamine
CID 82927420
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225
1-(2-ethylhexoxy)-2-[2-(2-ethylhexoxy)-6-methylphenyl]-3-methylbenzene
CID 21028375

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine?
The IUPAC name of [4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine (CID 55191930) is [4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine.
What is the SMILES notation for [4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine?
The canonical SMILES for [4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine is CCCCC(CC)COc1c(C)cc(CN)cc1C.
What is the InChIKey of [4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine?
The InChIKey is IBBNCLRWVHDVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-7-8-15(6-2)12-19-17-13(3)9-16(11-18)10-14(17)4/h9-10,15H,5-8,11-12,18H2,1-4H3.
What are the key properties of [4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine?
[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine has a molecular weight of 263.43 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine is sourced from PubChem (CID 55191930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).