3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine

C14H23NS — CID 64615135

IUPAC3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine
SMILESCCCSC(C(C)C)C(N)c1ccccc1
InChIInChI=1S/C14H23NS/c1-4-10-16-14(11(2)3)13(15)12-8-6-5-7-9-12/h5-9,11,13-14H,4,10,15H2,1-3H3
InChIKeyIOGNMINRXORWHW-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.85
Rot. Bonds6

About 3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine

3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine (PubChem CID 64615135) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine
PubChem CID64615135
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine
SMILESCCCSC(C(C)C)C(N)c1ccccc1
InChIInChI=1S/C14H23NS/c1-4-10-16-14(11(2)3)13(15)12-8-6-5-7-9-12/h5-9,11,13-14H,4,10,15H2,1-3H3
InChIKeyIOGNMINRXORWHW-UHFFFAOYSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine
CID 64622173
3-methyl-2-pentylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107763049
2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
CID 159334217
2-cyclopentylsulfanyl-3-methyl-1-phenylbutan-1-amine
CID 64628614
2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine
CID 55004777
3-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine
CID 64626731
3-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1-phenylbutan-1-amine
CID 64632096
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
ethyl 2-amino-3-phenyl-3-propylsulfanylpropanoate
CID 132543958
1-(1-phenylethylsulfanyl)propan-2-amine
CID 66219944
3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine
CID 64625617
ethane;1-ethylsulfanylethylbenzene
CID 91185856

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine?
The IUPAC name of 3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine (CID 64615135) is 3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine.
What is the SMILES notation for 3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine?
The canonical SMILES for 3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine is CCCSC(C(C)C)C(N)c1ccccc1.
What is the InChIKey of 3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine?
The InChIKey is IOGNMINRXORWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-10-16-14(11(2)3)13(15)12-8-6-5-7-9-12/h5-9,11,13-14H,4,10,15H2,1-3H3.
What are the key properties of 3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine?
3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-2-propylsulfanylbutan-1-amine is sourced from PubChem (CID 64615135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).