1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine

C14H21NS — CID 105094059

IUPAC1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine
SMILESCC1(C(N)CCc2ccccc2)CCCS1
InChIInChI=1S/C14H21NS/c1-14(10-5-11-16-14)13(15)9-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3
InChIKeyBJKXCMCYIUMBPT-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.23
Rot. Bonds4

About 1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine

1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine (PubChem CID 105094059) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine
PubChem CID105094059
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine
SMILESCC1(C(N)CCc2ccccc2)CCCS1
InChIInChI=1S/C14H21NS/c1-14(10-5-11-16-14)13(15)9-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3
InChIKeyBJKXCMCYIUMBPT-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(2-methylthiolan-2-yl)pentan-1-amine
CID 105126897
1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine
CID 105179943
1-(2-methylthiolan-2-yl)-4-phenyl-N-propylbutan-1-amine
CID 105139897
2-(4-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105086960
1-(1-methylcyclopentyl)-4-phenylbutan-1-amine
CID 115849307
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 116768960
(2S)-4-phenylbutan-2-amine
CID 6994564
1-(2-methylthiolan-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105106968
2-(1-methylpyrazol-4-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 105113890
1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 65391218
3-(1-methylcyclohexyl)pent-4-enylbenzene
CID 15445454
1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine
CID 79066143

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine (CID 105094059) is 1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine is CC1(C(N)CCc2ccccc2)CCCS1.
What is the InChIKey of 1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine?
The InChIKey is BJKXCMCYIUMBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-14(10-5-11-16-14)13(15)9-8-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,15H2,1H3.
What are the key properties of 1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine?
1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiolan-2-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 105094059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).