(1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine

C14H22ClNOS — CID 97322563

IUPAC(1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine
SMILESC[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNOS/c1-11(12-5-7-13(15)8-6-12)16-9-10-18(17)14(2,3)4/h5-8,11,16H,9-10H2,1-4H3/t11-,18-/m1/s1
InChIKeyAJWXTGBRHMKPDP-ADLMAVQZSA-N
MW287.86 g/mol
LogP3.54
Rot. Bonds5

About (1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine

(1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine (PubChem CID 97322563) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is (1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine
PubChem CID97322563
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name(1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine
SMILESC[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNOS/c1-11(12-5-7-13(15)8-6-12)16-9-10-18(17)14(2,3)4/h5-8,11,16H,9-10H2,1-4H3/t11-,18-/m1/s1
InChIKeyAJWXTGBRHMKPDP-ADLMAVQZSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81356230
N-(2-tert-butylsulfinylethyl)-1-thiophen-2-ylethanamine
CID 115721127
N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 115720610
(1R)-1-(5-bromothiophen-2-yl)-N-[2-[(R)-tert-butylsulfinyl]ethyl]ethanamine
CID 97322543
N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43177996
N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine
CID 60889323
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propanoic acid
CID 81352269
N-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chlorobenzamide
CID 95623408
5-[1-(4-chlorophenyl)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064106
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol
CID 28714593
3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-1-amine
CID 63438479
3-[1-(4-chlorophenyl)ethylamino]propanenitrile
CID 43183179

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine?
The IUPAC name of (1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine (CID 97322563) is (1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine is C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine?
The InChIKey is AJWXTGBRHMKPDP-ADLMAVQZSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-11(12-5-7-13(15)8-6-12)16-9-10-18(17)14(2,3)4/h5-8,11,16H,9-10H2,1-4H3/t11-,18-/m1/s1.
What are the key properties of (1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine?
(1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine has a molecular weight of 287.86 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-[(R)-tert-butylsulfinyl]ethyl]-1-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 97322563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).