N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine

C17H21NS — CID 43288356

IUPACN-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNC(c1ccc(-c2ccccc2C)s1)C1CC1
InChIInChI=1S/C17H21NS/c1-3-18-17(13-8-9-13)16-11-10-15(19-16)14-7-5-4-6-12(14)2/h4-7,10-11,13,17-18H,3,8-9H2,1-2H3
InChIKeyYHENZBQIGMKYAF-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.78
Rot. Bonds5

About N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine

N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 43288356) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine
PubChem CID43288356
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNC(c1ccc(-c2ccccc2C)s1)C1CC1
InChIInChI=1S/C17H21NS/c1-3-18-17(13-8-9-13)16-11-10-15(19-16)14-7-5-4-6-12(14)2/h4-7,10-11,13,17-18H,3,8-9H2,1-2H3
InChIKeyYHENZBQIGMKYAF-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine
CID 63400483
N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 81287372
N-[cyclopropyl-[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]ethanamine
CID 63401070
N-[cyclopropyl-[5-(3-fluoro-4-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287726
N-[cyclopropyl-[5-(4-iodophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288082
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
N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288281
N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
CID 102763969
N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 107577053
N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 103481065
N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
CID 63508833

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine (CID 43288356) is N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine is CCNC(c1ccc(-c2ccccc2C)s1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is YHENZBQIGMKYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-3-18-17(13-8-9-13)16-11-10-15(19-16)14-7-5-4-6-12(14)2/h4-7,10-11,13,17-18H,3,8-9H2,1-2H3.
What are the key properties of N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine?
N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 271.43 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 43288356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).