2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol

C12H18BrNOS — CID 65394644

IUPAC2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol
SMILESNCC1(Cc2cc(Br)cs2)CCCCC1O
InChIInChI=1S/C12H18BrNOS/c13-9-5-10(16-7-9)6-12(8-14)4-2-1-3-11(12)15/h5,7,11,15H,1-4,6,8,14H2
InChIKeyAYIYDPHZIMOPHF-UHFFFAOYSA-N
MW304.25 g/mol
LogP2.93
Rot. Bonds3

About 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol

2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol (PubChem CID 65394644) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol
PubChem CID65394644
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol
SMILESNCC1(Cc2cc(Br)cs2)CCCCC1O
InChIInChI=1S/C12H18BrNOS/c13-9-5-10(16-7-9)6-12(8-14)4-2-1-3-11(12)15/h5,7,11,15H,1-4,6,8,14H2
InChIKeyAYIYDPHZIMOPHF-UHFFFAOYSA-N
XLogP2.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine
CID 66025971
2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol
CID 65393815
2-(aminomethyl)-2-(2-thiophen-3-ylethyl)cyclohexan-1-ol
CID 65392570
2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol
CID 65393607
2-(aminomethyl)-2-[(2-bromo-4-nitrophenyl)methyl]cyclohexan-1-ol
CID 65393397
2-(aminomethyl)-2-[(2-methylphenyl)methyl]cyclohexan-1-ol
CID 65393602
2-(aminomethyl)-2-(thiadiazol-4-ylmethyl)cyclopentan-1-ol
CID 130550062
1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol
CID 65147574
2-(aminomethyl)-2-[(2,3-dichlorophenyl)methyl]cyclohexan-1-ol
CID 107310642
3-[(4-bromothiophen-2-yl)methyl]-3-cyclopentylazetidine
CID 112571345
1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64513419
1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65154190

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol (CID 65394644) is 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol is NCC1(Cc2cc(Br)cs2)CCCCC1O.
What is the InChIKey of 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol?
The InChIKey is AYIYDPHZIMOPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c13-9-5-10(16-7-9)6-12(8-14)4-2-1-3-11(12)15/h5,7,11,15H,1-4,6,8,14H2.
What are the key properties of 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol?
2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol has a molecular weight of 304.25 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65394644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).