4-ethyl-1-phenoxyoctan-2-amine

C16H27NO — CID 63416527

IUPAC4-ethyl-1-phenoxyoctan-2-amine
SMILESCCCCC(CC)CC(N)COc1ccccc1
InChIInChI=1S/C16H27NO/c1-3-5-9-14(4-2)12-15(17)13-18-16-10-7-6-8-11-16/h6-8,10-11,14-15H,3-5,9,12-13,17H2,1-2H3
InChIKeyCPROUGNAYFKIAM-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.00
Rot. Bonds9

About 4-ethyl-1-phenoxyoctan-2-amine

4-ethyl-1-phenoxyoctan-2-amine (PubChem CID 63416527) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-ethyl-1-phenoxyoctan-2-amine.

Molecular Properties

Compound Name4-ethyl-1-phenoxyoctan-2-amine
PubChem CID63416527
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-ethyl-1-phenoxyoctan-2-amine
SMILESCCCCC(CC)CC(N)COc1ccccc1
InChIInChI=1S/C16H27NO/c1-3-5-9-14(4-2)12-15(17)13-18-16-10-7-6-8-11-16/h6-8,10-11,14-15H,3-5,9,12-13,17H2,1-2H3
InChIKeyCPROUGNAYFKIAM-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1-phenylnonan-3-amine
CID 63417135
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414
6-ethyl-1-phenyldecan-4-amine
CID 105102887
(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine
CID 55188858
1-[(2E,4E)-3,4-dimethyl-5-phenylhexa-2,4-dien-2-yl]-4-(2-ethylhexoxy)benzene
CID 59296842
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
1-(3-ethoxyphenyl)-3-ethylheptan-1-amine
CID 63414147
2-[4-(2-ethylhexoxy)phenyl]-3-phenylpropan-1-amine
CID 70383117
2-ethylhexoxy(phenoxy)phosphane
CID 23385803
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
1-(4-phenylphenoxy)butan-2-amine
CID 62039154

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-phenoxyoctan-2-amine?
The IUPAC name of 4-ethyl-1-phenoxyoctan-2-amine (CID 63416527) is 4-ethyl-1-phenoxyoctan-2-amine.
What is the SMILES notation for 4-ethyl-1-phenoxyoctan-2-amine?
The canonical SMILES for 4-ethyl-1-phenoxyoctan-2-amine is CCCCC(CC)CC(N)COc1ccccc1.
What is the InChIKey of 4-ethyl-1-phenoxyoctan-2-amine?
The InChIKey is CPROUGNAYFKIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-5-9-14(4-2)12-15(17)13-18-16-10-7-6-8-11-16/h6-8,10-11,14-15H,3-5,9,12-13,17H2,1-2H3.
What are the key properties of 4-ethyl-1-phenoxyoctan-2-amine?
4-ethyl-1-phenoxyoctan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-phenoxyoctan-2-amine is sourced from PubChem (CID 63416527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).