N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine

C17H21NS — CID 55128692

IUPACN-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H21NS/c1-3-18-16(15-10-9-13(2)19-15)17(11-12-17)14-7-5-4-6-8-14/h4-10,16,18H,3,11-12H2,1-2H3
InChIKeyZRRVUACZTMTWSP-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.44
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine

N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine (PubChem CID 55128692) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
PubChem CID55128692
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H21NS/c1-3-18-16(15-10-9-13(2)19-15)17(11-12-17)14-7-5-4-6-8-14/h4-10,16,18H,3,11-12H2,1-2H3
InChIKeyZRRVUACZTMTWSP-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 79991864
N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63417836
N-[2,3-dihydrofuran-5-yl-(1-phenylcyclopropyl)methyl]ethanamine
CID 102651499
N-ethyl-1-(1-phenylcyclopentyl)propan-1-amine
CID 63079391
N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 115374513
N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine
CID 79590126
N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine
CID 102647409
N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 107128711
N-[(2,3-dichlorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63417837
N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 116767370
N-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine
CID 63078455
N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine
CID 63417531

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine (CID 55128692) is N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine is CCNC(c1ccc(C)s1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is ZRRVUACZTMTWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-3-18-16(15-10-9-13(2)19-15)17(11-12-17)14-7-5-4-6-8-14/h4-10,16,18H,3,11-12H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine?
N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 271.43 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 55128692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).