N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine

C15H19NS — CID 63012085

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
SMILESCc1ccc(CNC(C)Cc2ccccc2)s1
InChIInChI=1S/C15H19NS/c1-12(10-14-6-4-3-5-7-14)16-11-15-9-8-13(2)17-15/h3-9,12,16H,10-11H2,1-2H3
InChIKeyPEFMDFUMFOXPMX-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.78
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine

N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine (PubChem CID 63012085) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
PubChem CID63012085
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
SMILESCc1ccc(CNC(C)Cc2ccccc2)s1
InChIInChI=1S/C15H19NS/c1-12(10-14-6-4-3-5-7-14)16-11-15-9-8-13(2)17-15/h3-9,12,16H,10-11H2,1-2H3
InChIKeyPEFMDFUMFOXPMX-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012083
1-(3-chlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 43694725
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
CID 4715520
2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline
CID 66416923
N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010902
(2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 28612946
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-2-amine
CID 781905
3-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]benzoic acid
CID 103254218
N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
CID 4715741
N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63453731
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide
CID 78995785
N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 80703134

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine (CID 63012085) is N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine is Cc1ccc(CNC(C)Cc2ccccc2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine?
The InChIKey is PEFMDFUMFOXPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-12(10-14-6-4-3-5-7-14)16-11-15-9-8-13(2)17-15/h3-9,12,16H,10-11H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine?
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 63012085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).