N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine

C18H23NS — CID 105189048

IUPACN-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)C1CC1c1ccccc1
InChIInChI=1S/C18H23NS/c1-19-18(11-5-9-15-10-6-12-20-15)17-13-16(17)14-7-3-2-4-8-14/h2-4,6-8,10,12,16-19H,5,9,11,13H2,1H3
InChIKeyNWHMXWUHOWYZSH-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.46
Rot. Bonds7

About N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine

N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 105189048) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine
PubChem CID105189048
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC NameN-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)C1CC1c1ccccc1
InChIInChI=1S/C18H23NS/c1-19-18(11-5-9-15-10-6-12-20-15)17-13-16(17)14-7-3-2-4-8-14/h2-4,6-8,10,12,16-19H,5,9,11,13H2,1H3
InChIKeyNWHMXWUHOWYZSH-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylcyclohexyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105154540
N-methyl-1-(2-methylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 107188935
1-cyclopropyl-N-methyl-6-thiophen-2-ylhexan-3-amine
CID 105157838
2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 115848042
2-cyclopropyl-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 116517798
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860737
N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 105028477
N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine
CID 116660529
N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517453
3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 103029487
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105170350

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine (CID 105189048) is N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine is CNC(CCCc1cccs1)C1CC1c1ccccc1.
What is the InChIKey of N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is NWHMXWUHOWYZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-19-18(11-5-9-15-10-6-12-20-15)17-13-16(17)14-7-3-2-4-8-14/h2-4,6-8,10,12,16-19H,5,9,11,13H2,1H3.
What are the key properties of N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine?
N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105189048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).