4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine

C18H31NO — CID 116725722

IUPAC4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine
SMILESCCNC(CCc1ccccc1)C(OCC)C(C)(C)C
InChIInChI=1S/C18H31NO/c1-6-19-16(17(20-7-2)18(3,4)5)14-13-15-11-9-8-10-12-15/h8-12,16-17,19H,6-7,13-14H2,1-5H3
InChIKeyVLQNTEMKPACLSF-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.05
Rot. Bonds8

About 4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine

4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine (PubChem CID 116725722) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine
PubChem CID116725722
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine
SMILESCCNC(CCc1ccccc1)C(OCC)C(C)(C)C
InChIInChI=1S/C18H31NO/c1-6-19-16(17(20-7-2)18(3,4)5)14-13-15-11-9-8-10-12-15/h8-12,16-17,19H,6-7,13-14H2,1-5H3
InChIKeyVLQNTEMKPACLSF-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-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

4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine
CID 116725711
4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
4-ethoxy-N-ethyl-5,5-dimethyl-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530763
3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine
CID 116725818
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725779
3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine
CID 116725712
3-ethoxy-N-ethyl-2,2,6-trimethylheptan-4-amine
CID 116725715
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
[3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105273741
1-cyclopropyl-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725824
1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine
CID 116773735
(3-tert-butyl-4,4-dimethylpentyl)benzene
CID 54223968

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine?
The IUPAC name of 4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine (CID 116725722) is 4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine is CCNC(CCc1ccccc1)C(OCC)C(C)(C)C.
What is the InChIKey of 4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine?
The InChIKey is VLQNTEMKPACLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-19-16(17(20-7-2)18(3,4)5)14-13-15-11-9-8-10-12-15/h8-12,16-17,19H,6-7,13-14H2,1-5H3.
What are the key properties of 4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine?
4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine has a molecular weight of 277.45 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine is sourced from PubChem (CID 116725722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).