1-ethoxy-4-ethyl-4-phenylhexan-3-amine

C16H27NO — CID 114992855

IUPAC1-ethoxy-4-ethyl-4-phenylhexan-3-amine
SMILESCCOCCC(N)C(CC)(CC)c1ccccc1
InChIInChI=1S/C16H27NO/c1-4-16(5-2,14-10-8-7-9-11-14)15(17)12-13-18-6-3/h7-11,15H,4-6,12-13,17H2,1-3H3
InChIKeyVUAGANHAFZOSBL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.50
Rot. Bonds8

About 1-ethoxy-4-ethyl-4-phenylhexan-3-amine

1-ethoxy-4-ethyl-4-phenylhexan-3-amine (PubChem CID 114992855) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-ethoxy-4-ethyl-4-phenylhexan-3-amine.

Molecular Properties

Compound Name1-ethoxy-4-ethyl-4-phenylhexan-3-amine
PubChem CID114992855
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-ethoxy-4-ethyl-4-phenylhexan-3-amine
SMILESCCOCCC(N)C(CC)(CC)c1ccccc1
InChIInChI=1S/C16H27NO/c1-4-16(5-2,14-10-8-7-9-11-14)15(17)12-13-18-6-3/h7-11,15H,4-6,12-13,17H2,1-3H3
InChIKeyVUAGANHAFZOSBL-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
CID 64564957
3-ethyl-3-phenyltricosan-4-amine
CID 21316172
3-ethyl-3-phenylheptadecan-4-amine;hydrochloride
CID 173450724
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
3-ethyl-5-methyl-3-phenylheptan-4-amine
CID 79446709
[(2R)-4-ethoxybutan-2-yl]benzene
CID 67208388
4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine
CID 103010123
3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine
CID 65477714
3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine
CID 63417545
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
4-amino-3-ethyl-3-phenylhexanoic acid
CID 66096689
N,3-diethyl-1-methoxy-3-phenylpentan-2-amine
CID 79575431

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-ethyl-4-phenylhexan-3-amine?
The IUPAC name of 1-ethoxy-4-ethyl-4-phenylhexan-3-amine (CID 114992855) is 1-ethoxy-4-ethyl-4-phenylhexan-3-amine.
What is the SMILES notation for 1-ethoxy-4-ethyl-4-phenylhexan-3-amine?
The canonical SMILES for 1-ethoxy-4-ethyl-4-phenylhexan-3-amine is CCOCCC(N)C(CC)(CC)c1ccccc1.
What is the InChIKey of 1-ethoxy-4-ethyl-4-phenylhexan-3-amine?
The InChIKey is VUAGANHAFZOSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-16(5-2,14-10-8-7-9-11-14)15(17)12-13-18-6-3/h7-11,15H,4-6,12-13,17H2,1-3H3.
What are the key properties of 1-ethoxy-4-ethyl-4-phenylhexan-3-amine?
1-ethoxy-4-ethyl-4-phenylhexan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-ethyl-4-phenylhexan-3-amine is sourced from PubChem (CID 114992855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).