1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine

C17H28ClNO2 — CID 63507198

IUPAC1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCOc1cc(Cl)c(C(NC)C(C)(C)CC)cc1OCC
InChIInChI=1S/C17H28ClNO2/c1-7-17(4,5)16(19-6)12-10-14(20-8-2)15(21-9-3)11-13(12)18/h10-11,16,19H,7-9H2,1-6H3
InChIKeyZNRGUOUXLILODT-UHFFFAOYSA-N
MW313.87 g/mol
LogP4.83
Rot. Bonds8

About 1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine

1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine (PubChem CID 63507198) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine
PubChem CID63507198
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCOc1cc(Cl)c(C(NC)C(C)(C)CC)cc1OCC
InChIInChI=1S/C17H28ClNO2/c1-7-17(4,5)16(19-6)12-10-14(20-8-2)15(21-9-3)11-13(12)18/h10-11,16,19H,7-9H2,1-6H3
InChIKeyZNRGUOUXLILODT-UHFFFAOYSA-N
XLogP4.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62678421
1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 62866754
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62679741
1-(1-bromo-3,3,3-trifluoropropyl)-2-chloro-4,5-diethoxybenzene
CID 63445001
1-chloro-2-(1-chloro-3-methylpentyl)-4,5-diethoxybenzene
CID 114876048
4,5-dichloro-2-ethoxy-N-methylaniline
CID 82553897
N,2,2-trimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
CID 62679934
(2-chloro-4,5-diethoxyphenyl)-cyclopropylmethanol
CID 61083158
1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene
CID 83943763
1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine
CID 43330620
3-(2-chloro-4,5-diethoxyphenyl)butanoic acid
CID 83959381
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N,2,2-trimethylbutan-1-amine
CID 113425464

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine?
The IUPAC name of 1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine (CID 63507198) is 1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine is CCOc1cc(Cl)c(C(NC)C(C)(C)CC)cc1OCC.
What is the InChIKey of 1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine?
The InChIKey is ZNRGUOUXLILODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO2/c1-7-17(4,5)16(19-6)12-10-14(20-8-2)15(21-9-3)11-13(12)18/h10-11,16,19H,7-9H2,1-6H3.
What are the key properties of 1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine?
1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine has a molecular weight of 313.87 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine is sourced from PubChem (CID 63507198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).