2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine

C17H21NS — CID 103700143

IUPAC2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)(NCc1cc(-c2ccccc2)cs1)C1CC1
InChIInChI=1S/C17H21NS/c1-17(2,15-8-9-15)18-11-16-10-14(12-19-16)13-6-4-3-5-7-13/h3-7,10,12,15,18H,8-9,11H2,1-2H3
InChIKeyWVWQUYMHTKFDLE-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.69
Rot. Bonds5

About 2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine

2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine (PubChem CID 103700143) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
PubChem CID103700143
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)(NCc1cc(-c2ccccc2)cs1)C1CC1
InChIInChI=1S/C17H21NS/c1-17(2,15-8-9-15)18-11-16-10-14(12-19-16)13-6-4-3-5-7-13/h3-7,10,12,15,18H,8-9,11H2,1-2H3
InChIKeyWVWQUYMHTKFDLE-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 103700231
3,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]butan-2-amine
CID 104827818
2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine
CID 83009317
1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol
CID 63298820
3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543900
2-methyl-N-[(4-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191416
3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 103081741
1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
CID 62350153
1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
CID 115639875
5-fluoro-2-methyl-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 63422974
2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 103700179
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866204

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine (CID 103700143) is 2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine is CC(C)(NCc1cc(-c2ccccc2)cs1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine?
The InChIKey is WVWQUYMHTKFDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-17(2,15-8-9-15)18-11-16-10-14(12-19-16)13-6-4-3-5-7-13/h3-7,10,12,15,18H,8-9,11H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine?
2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine has a molecular weight of 271.43 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 103700143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).