N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine

C15H23NS — CID 80527869

IUPACN-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine
SMILESCCC(NCC1(C)CCCS1)c1ccccc1
InChIInChI=1S/C15H23NS/c1-3-14(13-8-5-4-6-9-13)16-12-15(2)10-7-11-17-15/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3
InChIKeyUBOLMEOWSBICLQ-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.01
Rot. Bonds5

About N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine

N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine (PubChem CID 80527869) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine
PubChem CID80527869
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine
SMILESCCC(NCC1(C)CCCS1)c1ccccc1
InChIInChI=1S/C15H23NS/c1-3-14(13-8-5-4-6-9-13)16-12-15(2)10-7-11-17-15/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3
InChIKeyUBOLMEOWSBICLQ-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-phenylbutan-1-amine
CID 80722369
N-[(2-methylthiolan-2-yl)methyl]-1-phenylethanamine
CID 80527826
N-[(2-methylthiolan-2-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 80726511
N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
CID 80726960
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 80722107
1-(2-bromophenyl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80527896
N-[(2-methylthiolan-2-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 80726715
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725869
N,N-dimethyl-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]aniline
CID 80725736
1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725439
2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80721632
2-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]naphthalen-1-ol
CID 80725546

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine (CID 80527869) is N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine is CCC(NCC1(C)CCCS1)c1ccccc1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine?
The InChIKey is UBOLMEOWSBICLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-14(13-8-5-4-6-9-13)16-12-15(2)10-7-11-17-15/h4-6,8-9,14,16H,3,7,10-12H2,1-2H3.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine?
N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 80527869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).