N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine

C17H21NS — CID 43724241

IUPACN-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(c1ccccc1)C1CC1)c1cccs1
InChIInChI=1S/C17H21NS/c1-2-15(16-9-6-12-19-16)18-17(14-10-11-14)13-7-4-3-5-8-13/h3-9,12,14-15,17-18H,2,10-11H2,1H3
InChIKeyGHHCGFRIDZBLKM-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.94
Rot. Bonds6

About N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 43724241) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID43724241
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(c1ccccc1)C1CC1)c1cccs1
InChIInChI=1S/C17H21NS/c1-2-15(16-9-6-12-19-16)18-17(14-10-11-14)13-7-4-3-5-8-13/h3-9,12,14-15,17-18H,2,10-11H2,1H3
InChIKeyGHHCGFRIDZBLKM-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 43724319
2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
CID 63182371
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
(2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol
CID 107862229
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[cyclopropyl(phenyl)methyl]-3-ethylpentan-2-amine
CID 63842237
N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63993444
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 43724241) is N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NC(c1ccccc1)C1CC1)c1cccs1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is GHHCGFRIDZBLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-2-15(16-9-6-12-19-16)18-17(14-10-11-14)13-7-4-3-5-8-13/h3-9,12,14-15,17-18H,2,10-11H2,1H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 271.43 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43724241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).