1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine

C17H29NO2 — CID 116761096

IUPAC1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine
SMILESCCNC(c1ccc(OCC)cc1)C(CC)(CC)OC
InChIInChI=1S/C17H29NO2/c1-6-17(7-2,19-5)16(18-8-3)14-10-12-15(13-11-14)20-9-4/h10-13,16,18H,6-9H2,1-5H3
InChIKeyCZAPUHDKNKMAJH-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds9

About 1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine

1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine (PubChem CID 116761096) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine
PubChem CID116761096
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine
SMILESCCNC(c1ccc(OCC)cc1)C(CC)(CC)OC
InChIInChI=1S/C17H29NO2/c1-6-17(7-2,19-5)16(18-8-3)14-10-12-15(13-11-14)20-9-4/h10-13,16,18H,6-9H2,1-5H3
InChIKeyCZAPUHDKNKMAJH-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43489403
N,2-diethyl-2-methoxy-1-naphthalen-2-ylbutan-1-amine
CID 116761218
[2-ethyl-2-methoxy-1-(4-methoxyphenyl)butyl]hydrazine
CID 105275411
1-(2-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761098
1-(4-ethoxyphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758183
1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 105145927
1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine
CID 116760163
1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine
CID 43489470
N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine
CID 116761268
2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine
CID 79299162
4-methoxy-N-[2,2,2-trichloro-1-(4-ethoxyphenyl)ethyl]aniline
CID 53426653
2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
CID 64534403

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine (CID 116761096) is 1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine is CCNC(c1ccc(OCC)cc1)C(CC)(CC)OC.
What is the InChIKey of 1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine?
The InChIKey is CZAPUHDKNKMAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-17(7-2,19-5)16(18-8-3)14-10-12-15(13-11-14)20-9-4/h10-13,16,18H,6-9H2,1-5H3.
What are the key properties of 1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine?
1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine is sourced from PubChem (CID 116761096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).