2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine

C17H21NS — CID 117048882

IUPAC2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCC(CN)(Cc1cccs1)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H21NS/c1-17(12-18,11-16-3-2-10-19-16)15-8-6-14(7-9-15)13-4-5-13/h2-3,6-10,13H,4-5,11-12,18H2,1H3
InChIKeyKOLICARJQSOUEN-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.08
Rot. Bonds5

About 2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine

2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 117048882) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID117048882
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCC(CN)(Cc1cccs1)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H21NS/c1-17(12-18,11-16-3-2-10-19-16)15-8-6-14(7-9-15)13-4-5-13/h2-3,6-10,13H,4-5,11-12,18H2,1H3
InChIKeyKOLICARJQSOUEN-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
1-(4-cyclopropylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 79984334
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464
2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117335176
3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 113489960
2-[4-(thietan-3-yl)phenyl]propan-2-amine
CID 117296889
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
2-amino-2-methyl-3-thiophen-2-ylpropanenitrile
CID 82074760
2-(4-aminophenyl)-2-methyl-3-thiophen-2-ylpropanenitrile
CID 117048848
N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 79489657
2-(4-cyclopropylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 79983660
2-(2-fluorophenyl)-1-thiophen-2-ylpropan-2-amine
CID 62621819

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine (CID 117048882) is 2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine is CC(CN)(Cc1cccs1)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is KOLICARJQSOUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-17(12-18,11-16-3-2-10-19-16)15-8-6-14(7-9-15)13-4-5-13/h2-3,6-10,13H,4-5,11-12,18H2,1H3.
What are the key properties of 2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine?
2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 271.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-2-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 117048882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).