2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine

C18H23NS — CID 64609674

IUPAC2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine
SMILESCC(C)CSCC(N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NS/c1-14(2)12-20-13-18(19)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,18H,12-13,19H2,1-2H3
InChIKeyKJXZHRWFHOYQEQ-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.74
Rot. Bonds6

About 2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine

2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine (PubChem CID 64609674) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine
PubChem CID64609674
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine
SMILESCC(C)CSCC(N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NS/c1-14(2)12-20-13-18(19)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,18H,12-13,19H2,1-2H3
InChIKeyKJXZHRWFHOYQEQ-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butylsulfanyl-1-(4-phenylphenyl)ethanamine
CID 64611302
2-(3-methylbutylsulfanyl)-1-phenylethanamine
CID 107754777
1-(4-phenylphenyl)butan-1-amine
CID 43197430
(1R)-1-(4-phenylphenyl)propane-1,3-diamine
CID 171208417
1-(3-chloro-4-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 107560319
(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 54594942
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64621935
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 114194407
1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 64611517
2-(2-methylpropylsulfanyl)-1-(3-propylphenyl)ethanamine
CID 116544446
4-(4-phenylphenyl)pentan-2-amine
CID 65456648
2-butylsulfanyl-1-phenylethanamine
CID 63771735

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine?
The IUPAC name of 2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine (CID 64609674) is 2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine?
The canonical SMILES for 2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine is CC(C)CSCC(N)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine?
The InChIKey is KJXZHRWFHOYQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-14(2)12-20-13-18(19)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,18H,12-13,19H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine?
2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)-1-(4-phenylphenyl)ethanamine is sourced from PubChem (CID 64609674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).