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

C16H27NO — CID 116758710

IUPAC4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine
SMILESCCOC(C)(CC)C(CCc1ccccc1)NC
InChIInChI=1S/C16H27NO/c1-5-16(3,18-6-2)15(17-4)13-12-14-10-8-7-9-11-14/h7-11,15,17H,5-6,12-13H2,1-4H3
InChIKeyJFIKNKRQMODBFG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.41
Rot. Bonds8

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

4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine (PubChem CID 116758710) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine.

Molecular Properties

Compound Name4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine
PubChem CID116758710
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine
SMILESCCOC(C)(CC)C(CCc1ccccc1)NC
InChIInChI=1S/C16H27NO/c1-5-16(3,18-6-2)15(17-4)13-12-14-10-8-7-9-11-14/h7-11,15,17H,5-6,12-13H2,1-4H3
InChIKeyJFIKNKRQMODBFG-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine
CID 116759829
4-N,4-N,4-triethyl-3-N-methyl-1-phenylhexane-3,4-diamine
CID 79060132
5-[1-(methylamino)-3-phenylpropyl]nonan-5-ol
CID 139814433
1-(2,6-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758747
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine
CID 116758401
1-(2,5-dichlorophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758892
5-ethoxy-N,5-dimethylhept-1-en-4-amine
CID 116758698
N,5,5-trimethyl-1-phenylhexan-3-amine
CID 63889810
[3-ethoxy-3-methyl-1-(3-methylphenyl)pentan-2-yl]hydrazine
CID 105274721
3-ethyl-3-methoxy-N-methyl-1-phenylpentan-2-amine
CID 116760798
2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine
CID 116758813

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine?
The IUPAC name of 4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine (CID 116758710) is 4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine.
What is the SMILES notation for 4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine?
The canonical SMILES for 4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine is CCOC(C)(CC)C(CCc1ccccc1)NC.
What is the InChIKey of 4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine?
The InChIKey is JFIKNKRQMODBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-16(3,18-6-2)15(17-4)13-12-14-10-8-7-9-11-14/h7-11,15,17H,5-6,12-13H2,1-4H3.
What are the key properties of 4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine?
4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,4-dimethyl-1-phenylhexan-3-amine is sourced from PubChem (CID 116758710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).