N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine

C17H20BrNS — CID 107577053

IUPACN-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
SMILESCCNC(c1ccc(-c2cc(C)cc(Br)c2)s1)C1CC1
InChIInChI=1S/C17H20BrNS/c1-3-19-17(12-4-5-12)16-7-6-15(20-16)13-8-11(2)9-14(18)10-13/h6-10,12,17,19H,3-5H2,1-2H3
InChIKeyRMDHZTJOZZKUKE-UHFFFAOYSA-N
MW350.33 g/mol
LogP5.55
Rot. Bonds5

About N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine

N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine (PubChem CID 107577053) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
PubChem CID107577053
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC NameN-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
SMILESCCNC(c1ccc(-c2cc(C)cc(Br)c2)s1)C1CC1
InChIInChI=1S/C17H20BrNS/c1-3-19-17(12-4-5-12)16-7-6-15(20-16)13-8-11(2)9-14(18)10-13/h6-10,12,17,19H,3-5H2,1-2H3
InChIKeyRMDHZTJOZZKUKE-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.33
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288281
N-[cyclopropyl-[5-(2-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43288356
1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 107577065
1-[5-(4-bromophenyl)thiophen-2-yl]-1-cyclopropyl-N-methylmethanamine
CID 43288068
1-cyclopropyl-1-[5-(2,6-dibromo-4-methylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 43288016
N-[cyclopropyl-[5-(2-propylphenyl)thiophen-2-yl]methyl]ethanamine
CID 63400483
N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 64776273
N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine
CID 63400645

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine?
The IUPAC name of N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine (CID 107577053) is N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine.
What is the SMILES notation for N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine?
The canonical SMILES for N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine is CCNC(c1ccc(-c2cc(C)cc(Br)c2)s1)C1CC1.
What is the InChIKey of N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine?
The InChIKey is RMDHZTJOZZKUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-3-19-17(12-4-5-12)16-7-6-15(20-16)13-8-11(2)9-14(18)10-13/h6-10,12,17,19H,3-5H2,1-2H3.
What are the key properties of N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine?
N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine has a molecular weight of 350.33 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine is sourced from PubChem (CID 107577053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).