2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine

C14H22ClNO — CID 114208280

IUPAC2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine
SMILESCCC(CC)COC(CN)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-3-11(4-2)10-17-14(9-16)12-6-5-7-13(15)8-12/h5-8,11,14H,3-4,9-10,16H2,1-2H3
InChIKeyGSBPCUXIHSRHOV-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.79
Rot. Bonds7

About 2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine

2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine (PubChem CID 114208280) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine
PubChem CID114208280
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine
SMILESCCC(CC)COC(CN)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-3-11(4-2)10-17-14(9-16)12-6-5-7-13(15)8-12/h5-8,11,14H,3-4,9-10,16H2,1-2H3
InChIKeyGSBPCUXIHSRHOV-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine
CID 114208291
2-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanamine
CID 65124586
(2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine
CID 130253559
2-(3-chlorophenyl)-2-(difluoromethoxy)ethanamine
CID 84724920
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol
CID 103377250
2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine
CID 62383668
1-[2-bromo-1-(2-methylpropoxy)ethyl]-3-chlorobenzene
CID 62112370
2-[(3-chlorophenoxy)methyl]butan-1-amine
CID 117241903
2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63459198
2-(4-tert-butylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63458293
2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine
CID 55019516

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine (CID 114208280) is 2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine is CCC(CC)COC(CN)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine?
The InChIKey is GSBPCUXIHSRHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-11(4-2)10-17-14(9-16)12-6-5-7-13(15)8-12/h5-8,11,14H,3-4,9-10,16H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine?
2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine has a molecular weight of 255.79 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine is sourced from PubChem (CID 114208280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).