3-ethyl-1-phenoxyheptan-3-amine

C15H25NO — CID 65020146

IUPAC3-ethyl-1-phenoxyheptan-3-amine
SMILESCCCCC(N)(CC)CCOc1ccccc1
InChIInChI=1S/C15H25NO/c1-3-5-11-15(16,4-2)12-13-17-14-9-7-6-8-10-14/h6-10H,3-5,11-13,16H2,1-2H3
InChIKeyBKTZXIHBQWTHMM-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.75
Rot. Bonds8

About 3-ethyl-1-phenoxyheptan-3-amine

3-ethyl-1-phenoxyheptan-3-amine (PubChem CID 65020146) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-ethyl-1-phenoxyheptan-3-amine.

Molecular Properties

Compound Name3-ethyl-1-phenoxyheptan-3-amine
PubChem CID65020146
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-ethyl-1-phenoxyheptan-3-amine
SMILESCCCCC(N)(CC)CCOc1ccccc1
InChIInChI=1S/C15H25NO/c1-3-5-11-15(16,4-2)12-13-17-14-9-7-6-8-10-14/h6-10H,3-5,11-13,16H2,1-2H3
InChIKeyBKTZXIHBQWTHMM-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-phenoxyheptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(chloromethyl)-3-ethylheptoxy]benzene
CID 66034921
pentoxybenzene;undecane
CID 174778179
3,4-dimethyl-1-phenoxyhexan-3-amine
CID 115001414
3,4-dimethyl-1-phenoxypentan-3-amine
CID 114998451
5-ethylnonan-5-amine;hydrochloride
CID 174766496
3-methyl-1-phenoxypentan-3-ol
CID 139819683
2-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62726316
2-amino-5-(4-butylphenoxy)-2-ethylpentan-1-ol
CID 106810666
4-(trifluoromethyl)dodecoxybenzene
CID 122389329
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
dodecoxybenzene;ethene;hydrate
CID 174804981

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-phenoxyheptan-3-amine?
The IUPAC name of 3-ethyl-1-phenoxyheptan-3-amine (CID 65020146) is 3-ethyl-1-phenoxyheptan-3-amine.
What is the SMILES notation for 3-ethyl-1-phenoxyheptan-3-amine?
The canonical SMILES for 3-ethyl-1-phenoxyheptan-3-amine is CCCCC(N)(CC)CCOc1ccccc1.
What is the InChIKey of 3-ethyl-1-phenoxyheptan-3-amine?
The InChIKey is BKTZXIHBQWTHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-5-11-15(16,4-2)12-13-17-14-9-7-6-8-10-14/h6-10H,3-5,11-13,16H2,1-2H3.
What are the key properties of 3-ethyl-1-phenoxyheptan-3-amine?
3-ethyl-1-phenoxyheptan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenoxyheptan-3-amine is sourced from PubChem (CID 65020146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).