1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine

C14H22ClN — CID 115801757

IUPAC1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNC(c1ccccc1Cl)C(C)C(C)C
InChIInChI=1S/C14H22ClN/c1-5-16-14(11(4)10(2)3)12-8-6-7-9-13(12)15/h6-11,14,16H,5H2,1-4H3
InChIKeyXWUHRJLVNGOKGO-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.28
Rot. Bonds5

About 1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine

1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine (PubChem CID 115801757) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
PubChem CID115801757
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNC(c1ccccc1Cl)C(C)C(C)C
InChIInChI=1S/C14H22ClN/c1-5-16-14(11(4)10(2)3)12-8-6-7-9-13(12)15/h6-11,14,16H,5H2,1-4H3
InChIKeyXWUHRJLVNGOKGO-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine
CID 81378188
1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine
CID 79597096
(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 126988283
2-(2-chlorophenyl)-2-(ethylamino)acetonitrile
CID 25213809
1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
CID 114980469
1-(2-chlorophenyl)-2-(ethylamino)-2-(4-fluorophenyl)ethanol
CID 143719809
1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616818
1-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-2-ol
CID 111755606
N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine
CID 115851123
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81377388
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine (CID 115801757) is 1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine is CCNC(c1ccccc1Cl)C(C)C(C)C.
What is the InChIKey of 1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
The InChIKey is XWUHRJLVNGOKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-5-16-14(11(4)10(2)3)12-8-6-7-9-13(12)15/h6-11,14,16H,5H2,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine?
1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 115801757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).