[4-(2-ethylhexoxy)phenyl]methanamine

C15H25NO — CID 43126950

IUPAC[4-(2-ethylhexoxy)phenyl]methanamine
SMILESCCCCC(CC)COc1ccc(CN)cc1
InChIInChI=1S/C15H25NO/c1-3-5-6-13(4-2)12-17-15-9-7-14(11-16)8-10-15/h7-10,13H,3-6,11-12,16H2,1-2H3
InChIKeyMJUUXVYCWKBAQP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.74
Rot. Bonds8

About [4-(2-ethylhexoxy)phenyl]methanamine

[4-(2-ethylhexoxy)phenyl]methanamine (PubChem CID 43126950) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is [4-(2-ethylhexoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-ethylhexoxy)phenyl]methanamine
PubChem CID43126950
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name[4-(2-ethylhexoxy)phenyl]methanamine
SMILESCCCCC(CC)COc1ccc(CN)cc1
InChIInChI=1S/C15H25NO/c1-3-5-6-13(4-2)12-17-15-9-7-14(11-16)8-10-15/h7-10,13H,3-6,11-12,16H2,1-2H3
InChIKeyMJUUXVYCWKBAQP-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
[4-(2-ethylheptoxy)phenyl]methanol
CID 142083933
1-(2-ethylhexoxy)-4-[4-[4-[4-(2-ethylhexoxy)phenyl]butylperoxy]butyl]benzene
CID 175496106
3-[4-(2-ethylhexoxy)phenyl]-2-phenylpropan-1-amine;hydrochloride
CID 19885116
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
2-bis[4-(2-ethylhexoxy)phenyl]boranyloxyethanamine
CID 162495650
2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine
CID 70383117
[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
CID 55191930
[4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 63484790
[4-(2-methylbutoxy)phenyl]methanamine
CID 62105657
ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene
CID 170619939

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylhexoxy)phenyl]methanamine?
The IUPAC name of [4-(2-ethylhexoxy)phenyl]methanamine (CID 43126950) is [4-(2-ethylhexoxy)phenyl]methanamine.
What is the SMILES notation for [4-(2-ethylhexoxy)phenyl]methanamine?
The canonical SMILES for [4-(2-ethylhexoxy)phenyl]methanamine is CCCCC(CC)COc1ccc(CN)cc1.
What is the InChIKey of [4-(2-ethylhexoxy)phenyl]methanamine?
The InChIKey is MJUUXVYCWKBAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-5-6-13(4-2)12-17-15-9-7-14(11-16)8-10-15/h7-10,13H,3-6,11-12,16H2,1-2H3.
What are the key properties of [4-(2-ethylhexoxy)phenyl]methanamine?
[4-(2-ethylhexoxy)phenyl]methanamine has a molecular weight of 235.37 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylhexoxy)phenyl]methanamine is sourced from PubChem (CID 43126950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).