1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine

C18H23NS — CID 43287687

IUPAC1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine
SMILESCNC(c1ccc(-c2ccccc2C(C)C)s1)C1CC1
InChIInChI=1S/C18H23NS/c1-12(2)14-6-4-5-7-15(14)16-10-11-17(20-16)18(19-3)13-8-9-13/h4-7,10-13,18-19H,8-9H2,1-3H3
InChIKeyAUAUEJHCLQSBFB-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.21
Rot. Bonds5

About 1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine

1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine (PubChem CID 43287687) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine
PubChem CID43287687
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine
SMILESCNC(c1ccc(-c2ccccc2C(C)C)s1)C1CC1
InChIInChI=1S/C18H23NS/c1-12(2)14-6-4-5-7-15(14)16-10-11-17(20-16)18(19-3)13-8-9-13/h4-7,10-13,18-19H,8-9H2,1-3H3
InChIKeyAUAUEJHCLQSBFB-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 43287604
1-cyclopropyl-N-methyl-1-[5-(2-propylphenyl)thiophen-2-yl]methanamine
CID 63400602
1-cyclopropyl-N-methyl-1-(5-naphthalen-2-ylthiophen-2-yl)methanamine
CID 43287655
1-[5-(2-chloro-4-methylphenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
CID 43287807
1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
CID 43288068
N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43288356
N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43287695
N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine
CID 63400483
1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 43288016
1-cyclopropyl-1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 62813412
1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine (CID 43287687) is 1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine is CNC(c1ccc(-c2ccccc2C(C)C)s1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine?
The InChIKey is AUAUEJHCLQSBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-12(2)14-6-4-5-7-15(14)16-10-11-17(20-16)18(19-3)13-8-9-13/h4-7,10-13,18-19H,8-9H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine?
1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine has a molecular weight of 285.46 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 43287687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).