1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine

C16H27NO — CID 43489470

IUPAC1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine
SMILESCCNC(c1ccc(OCC)cc1)C(CC)CC
InChIInChI=1S/C16H27NO/c1-5-13(6-2)16(17-7-3)14-9-11-15(12-10-14)18-8-4/h9-13,16-17H,5-8H2,1-4H3
InChIKeyBDEMLBKSEMQXMW-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.17
Rot. Bonds8

About 1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine

1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine (PubChem CID 43489470) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine
PubChem CID43489470
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine
SMILESCCNC(c1ccc(OCC)cc1)C(CC)CC
InChIInChI=1S/C16H27NO/c1-5-13(6-2)16(17-7-3)14-9-11-15(12-10-14)18-8-4/h9-13,16-17H,5-8H2,1-4H3
InChIKeyBDEMLBKSEMQXMW-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 43481938
2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
CID 64534403
1-[4-(difluoromethoxy)phenyl]-N,2-diethylbutan-1-amine
CID 105013922
1-(4-ethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43489418
2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine
CID 116717020
1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine
CID 105022228
N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine
CID 43489783
2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine
CID 79299162
1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43489403
N-ethyl-1-(4-methoxyphenyl)-2-propylpentan-1-amine
CID 82985129
1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine
CID 80604791
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine (CID 43489470) is 1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine is CCNC(c1ccc(OCC)cc1)C(CC)CC.
What is the InChIKey of 1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine?
The InChIKey is BDEMLBKSEMQXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-13(6-2)16(17-7-3)14-9-11-15(12-10-14)18-8-4/h9-13,16-17H,5-8H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine?
1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine is sourced from PubChem (CID 43489470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).