1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine

C16H26ClNO — CID 116760163

IUPAC1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine
SMILESCCNC(c1ccc(Cl)cc1)C(CC)(CC)OCC
InChIInChI=1S/C16H26ClNO/c1-5-16(6-2,19-8-4)15(18-7-3)13-9-11-14(17)12-10-13/h9-12,15,18H,5-8H2,1-4H3
InChIKeyPYNAQJROLJNETK-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.59
Rot. Bonds8

About 1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine

1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine (PubChem CID 116760163) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine
PubChem CID116760163
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine
SMILESCCNC(c1ccc(Cl)cc1)C(CC)(CC)OCC
InChIInChI=1S/C16H26ClNO/c1-5-16(6-2,19-8-4)15(18-7-3)13-9-11-14(17)12-10-13/h9-12,15,18H,5-8H2,1-4H3
InChIKeyPYNAQJROLJNETK-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116760388
1-(4-ethoxyphenyl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761096
2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 116760231
1-(2,3-difluorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine
CID 116760247
2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine
CID 116760136
[1-(3,4-difluorophenyl)-2-ethoxy-2-ethylbutyl]hydrazine
CID 105275083
[2-ethoxy-2-ethyl-1-(4-propoxyphenyl)butyl]hydrazine
CID 105275200
1-(5-chlorothiophen-2-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
CID 116726933
1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
CID 116760137
3-(4-chlorophenyl)-N-ethylheptan-4-amine
CID 83051946
(1R)-1-(4-chlorophenyl)-N-(2-ethoxyethyl)ethanamine
CID 81353277
1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 55186414

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine (CID 116760163) is 1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine is CCNC(c1ccc(Cl)cc1)C(CC)(CC)OCC.
What is the InChIKey of 1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine?
The InChIKey is PYNAQJROLJNETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-16(6-2,19-8-4)15(18-7-3)13-9-11-14(17)12-10-13/h9-12,15,18H,5-8H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine?
1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine is sourced from PubChem (CID 116760163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).