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

C17H21NS — CID 115707556

IUPAC1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine
SMILESCC(CC1CC1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C17H21NS/c1-13(12-14-9-10-14)18-17(16-8-5-11-19-16)15-6-3-2-4-7-15/h2-8,11,13-14,17-18H,9-10,12H2,1H3
InChIKeyLVUUHVZDTCHZBM-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.62
Rot. Bonds6

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

1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine (PubChem CID 115707556) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine
PubChem CID115707556
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine
SMILESCC(CC1CC1)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C17H21NS/c1-13(12-14-9-10-14)18-17(16-8-5-11-19-16)15-6-3-2-4-7-15/h2-8,11,13-14,17-18H,9-10,12H2,1H3
InChIKeyLVUUHVZDTCHZBM-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 104866462
1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
CID 63989311
1-cyclobutyl-N-[furan-2-yl(phenyl)methyl]propan-2-amine
CID 115707858
2-[[phenyl(thiophen-2-yl)methyl]amino]propanoic acid
CID 66172307
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069
(2R)-N-cyclopropyl-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051615
methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 113489791
2-[[phenyl(thiophen-2-yl)methyl]amino]butanoic acid
CID 115352761
3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclobutan-1-amine
CID 104859620
[phenyl(thiophen-2-yl)methyl]hydrazine
CID 53403118
1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine
CID 43224396
N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43724241

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine (CID 115707556) is 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine is CC(CC1CC1)NC(c1ccccc1)c1cccs1.
What is the InChIKey of 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine?
The InChIKey is LVUUHVZDTCHZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-13(12-14-9-10-14)18-17(16-8-5-11-19-16)15-6-3-2-4-7-15/h2-8,11,13-14,17-18H,9-10,12H2,1H3.
What are the key properties of 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine?
1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine has a molecular weight of 271.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[phenyl(thiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 115707556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).