N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine

C14H22BrNS — CID 64776273

IUPACN-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)cs1)C1CCC(C)CC1
InChIInChI=1S/C14H22BrNS/c1-3-16-14(13-8-12(15)9-17-13)11-6-4-10(2)5-7-11/h8-11,14,16H,3-7H2,1-2H3
InChIKeyWOJZHPAOGJQXNU-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.99
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine

N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 64776273) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
PubChem CID64776273
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC NameN-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)cs1)C1CCC(C)CC1
InChIInChI=1S/C14H22BrNS/c1-3-16-14(13-8-12(15)9-17-13)11-6-4-10(2)5-7-11/h8-11,14,16H,3-7H2,1-2H3
InChIKeyWOJZHPAOGJQXNU-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988096
N-[(3-bromo-5-fluorophenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 66425051
N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988095
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine
CID 107354393
N-[(4-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79909990
N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 107577053
N-[[5-(4-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 81287372
N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine
CID 105080844
N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
CID 102763969
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686
N-[(3-bromo-4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104657639

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine (CID 64776273) is N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine is CCNC(c1cc(Br)cs1)C1CCC(C)CC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is WOJZHPAOGJQXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-3-16-14(13-8-12(15)9-17-13)11-6-4-10(2)5-7-11/h8-11,14,16H,3-7H2,1-2H3.
What are the key properties of N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine?
N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 316.31 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)-(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 64776273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).