N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine

C17H21NOS — CID 105052701

IUPACN-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1sccc1OC)C1CC1c1ccccc1
InChIInChI=1S/C17H21NOS/c1-3-18-16(17-15(19-2)9-10-20-17)14-11-13(14)12-7-5-4-6-8-12/h4-10,13-14,16,18H,3,11H2,1-2H3
InChIKeyHGVDEDRTKSGGLR-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.21
Rot. Bonds6

About N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine

N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine (PubChem CID 105052701) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine
PubChem CID105052701
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1sccc1OC)C1CC1c1ccccc1
InChIInChI=1S/C17H21NOS/c1-3-18-16(17-15(19-2)9-10-20-17)14-11-13(14)12-7-5-4-6-8-12/h4-10,13-14,16,18H,3,11H2,1-2H3
InChIKeyHGVDEDRTKSGGLR-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052605
N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517740
N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine
CID 105001098
2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116722479
N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517342
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052597
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine
CID 105188962
N-ethyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517454
N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517426
N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine
CID 102649116
N-ethyl-3,3,3-trifluoro-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517402
N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 80529262

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine (CID 105052701) is N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine is CCNC(c1sccc1OC)C1CC1c1ccccc1.
What is the InChIKey of N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is HGVDEDRTKSGGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-3-18-16(17-15(19-2)9-10-20-17)14-11-13(14)12-7-5-4-6-8-12/h4-10,13-14,16,18H,3,11H2,1-2H3.
What are the key properties of N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine?
N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 287.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 105052701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).