2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine

C17H28ClNO — CID 13315664

IUPAC2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOC(c1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C17H28ClNO/c1-6-19(7-2)12-13-20-16(17(3,4)5)14-8-10-15(18)11-9-14/h8-11,16H,6-7,12-13H2,1-5H3
InChIKeyJPBOXLGLYBZVFH-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.79
Rot. Bonds7

About 2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine

2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine (PubChem CID 13315664) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine
PubChem CID13315664
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOC(c1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C17H28ClNO/c1-6-19(7-2)12-13-20-16(17(3,4)5)14-8-10-15(18)11-9-14/h8-11,16H,6-7,12-13H2,1-5H3
InChIKeyJPBOXLGLYBZVFH-UHFFFAOYSA-N
XLogP4.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[chloro(phenyl)methoxy]-N,N-diethylethanamine
CID 70132792
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
N'-[2-(4-chlorophenoxy)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79667626
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
2-(4-chlorophenyl)-4-(diethylamino)butanenitrile
CID 12550813
1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
CID 63690707
1-[4-(4-chlorophenoxy)phenyl]-4-(diethylamino)butan-1-ol
CID 154295078
1-chloro-4-(3-methylbutan-2-yl)benzene;ethane
CID 166470462
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
1-(4-chlorophenyl)-3-[ethyl(propyl)amino]propan-1-ol
CID 55099257
N-[(4-chlorophenyl)-cyclopropylmethyl]-N',N'-diethylethane-1,2-diamine
CID 43761796

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine (CID 13315664) is 2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine is CCN(CC)CCOC(c1ccc(Cl)cc1)C(C)(C)C.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine?
The InChIKey is JPBOXLGLYBZVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-6-19(7-2)12-13-20-16(17(3,4)5)14-8-10-15(18)11-9-14/h8-11,16H,6-7,12-13H2,1-5H3.
What are the key properties of 2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine?
2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine has a molecular weight of 297.87 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]-N,N-diethylethanamine is sourced from PubChem (CID 13315664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).