4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine

C18H23NS — CID 60975904

IUPAC4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine
SMILESCC(CCc1ccccc1)NCCSc1ccccc1
InChIInChI=1S/C18H23NS/c1-16(12-13-17-8-4-2-5-9-17)19-14-15-20-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3
InChIKeyFWQRCHMEGZSZFJ-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.39
Rot. Bonds8

About 4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine

4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine (PubChem CID 60975904) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine
PubChem CID60975904
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine
SMILESCC(CCc1ccccc1)NCCSc1ccccc1
InChIInChI=1S/C18H23NS/c1-16(12-13-17-8-4-2-5-9-17)19-14-15-20-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3
InChIKeyFWQRCHMEGZSZFJ-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-N-(2-phenylsulfanylethyl)propane-1,2-diamine
CID 104867871
4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine
CID 10316304
1-N-ethyl-1-N-methyl-2-N-(2-phenylsulfanylethyl)propane-1,2-diamine
CID 103109593
5-methyl-N-(2-phenylethyl)hexan-2-amine
CID 43178595
1-N,1-N,3-trimethyl-2-N-(2-phenylsulfanylethyl)butane-1,2-diamine
CID 79222093
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
1-(5-methylthiophen-2-yl)-N-(2-phenylsulfanylethyl)propan-2-amine
CID 79223017
(1R)-N-(2-phenylsulfanylethyl)-1-pyridin-4-ylethanamine
CID 81409534
(2S)-3-methyl-2-(2-phenylsulfanylethylamino)butan-1-ol
CID 79249697
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181589
N-[2-(3-methylphenyl)sulfanylethyl]pentan-2-amine
CID 62580487
(4-phenylbutan-2-ylamino) thiohypofluorite
CID 138664614

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine?
The IUPAC name of 4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine (CID 60975904) is 4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine.
What is the SMILES notation for 4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine?
The canonical SMILES for 4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine is CC(CCc1ccccc1)NCCSc1ccccc1.
What is the InChIKey of 4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine?
The InChIKey is FWQRCHMEGZSZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-16(12-13-17-8-4-2-5-9-17)19-14-15-20-18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3.
What are the key properties of 4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine?
4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine has a molecular weight of 285.46 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine is sourced from PubChem (CID 60975904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).