1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine

C19H33NS — CID 65135023

IUPAC1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCCNC(CSCC(C)C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H33NS/c1-7-20-18(14-21-13-15(2)3)12-16-8-10-17(11-9-16)19(4,5)6/h8-11,15,18,20H,7,12-14H2,1-6H3
InChIKeyQMSCYLCVUVUJED-UHFFFAOYSA-N
MW307.55 g/mol
LogP4.89
Rot. Bonds8

About 1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine

1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 65135023) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID65135023
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC Name1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCCNC(CSCC(C)C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H33NS/c1-7-20-18(14-21-13-15(2)3)12-16-8-10-17(11-9-16)19(4,5)6/h8-11,15,18,20H,7,12-14H2,1-6H3
InChIKeyQMSCYLCVUVUJED-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.55
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 55108520
1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65133115
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 103040087
1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65127961
N-ethyl-1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135077
1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65478586
1-(2,6-dichlorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65134967
1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103168468
ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate
CID 82351797
1-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135476
[1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226918
1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 112653767

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine (CID 65135023) is 1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine is CCNC(CSCC(C)C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is QMSCYLCVUVUJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-7-20-18(14-21-13-15(2)3)12-16-8-10-17(11-9-16)19(4,5)6/h8-11,15,18,20H,7,12-14H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine?
1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 307.55 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 65135023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).