1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine

C18H31NO — CID 116773735

IUPAC1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine
SMILESCCNC(CCC(C)(C)C)C(OCC)c1ccccc1
InChIInChI=1S/C18H31NO/c1-6-19-16(13-14-18(3,4)5)17(20-7-2)15-11-9-8-10-12-15/h8-12,16-17,19H,6-7,13-14H2,1-5H3
InChIKeyQNQPFWHHXVXMMH-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.57
Rot. Bonds8

About 1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine

1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine (PubChem CID 116773735) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine
PubChem CID116773735
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine
SMILESCCNC(CCC(C)(C)C)C(OCC)c1ccccc1
InChIInChI=1S/C18H31NO/c1-6-19-16(13-14-18(3,4)5)17(20-7-2)15-11-9-8-10-12-15/h8-12,16-17,19H,6-7,13-14H2,1-5H3
InChIKeyQNQPFWHHXVXMMH-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-N-ethyl-1-phenylheptan-2-amine
CID 116773710
1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine
CID 116773836
3-cyclopentyl-1-ethoxy-N-ethyl-1-phenylpropan-2-amine
CID 116773746
1-ethoxy-N-ethyl-3-(furan-3-yl)-1-phenylpropan-2-amine
CID 116773731
1-ethoxy-N-ethyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 116773805
1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine
CID 116773842
7,7-dimethyl-3-phenyl-N-propyloctan-4-amine
CID 115849907
1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine
CID 103031290
4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine
CID 116725722
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566
1,1-diethoxy-N-ethyl-6,6-dimethylheptan-2-amine
CID 114209986
N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine
CID 107009776

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine?
The IUPAC name of 1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine (CID 116773735) is 1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine.
What is the SMILES notation for 1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine?
The canonical SMILES for 1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine is CCNC(CCC(C)(C)C)C(OCC)c1ccccc1.
What is the InChIKey of 1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine?
The InChIKey is QNQPFWHHXVXMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-19-16(13-14-18(3,4)5)17(20-7-2)15-11-9-8-10-12-15/h8-12,16-17,19H,6-7,13-14H2,1-5H3.
What are the key properties of 1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine?
1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine is sourced from PubChem (CID 116773735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).