2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol

C12H18BrNOS — CID 61012171

IUPAC2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol
SMILESOC1CCCCCC1NCc1ccc(Br)s1
InChIInChI=1S/C12H18BrNOS/c13-12-7-6-9(16-12)8-14-10-4-2-1-3-5-11(10)15/h6-7,10-11,14-15H,1-5,8H2
InChIKeyWVDNKHZYKPJJHP-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.29
Rot. Bonds3

About 2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol

2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol (PubChem CID 61012171) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol
PubChem CID61012171
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol
SMILESOC1CCCCCC1NCc1ccc(Br)s1
InChIInChI=1S/C12H18BrNOS/c13-12-7-6-9(16-12)8-14-10-4-2-1-3-5-11(10)15/h6-7,10-11,14-15H,1-5,8H2
InChIKeyWVDNKHZYKPJJHP-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
trans-(1S,2S)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339567
trans-(1R,2R)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339568
N-[(5-bromothiophen-2-yl)methyl]-2-methylthian-3-amine
CID 79956952
[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 103753139
N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907544
N-[(5-bromothiophen-2-yl)methyl]-4-chlorooxolan-3-amine
CID 131165706
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide
CID 32775478
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-hydroxycyclohexyl)urea
CID 110933217
N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921526
N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine
CID 43298343

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol (CID 61012171) is 2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol is OC1CCCCCC1NCc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol?
The InChIKey is WVDNKHZYKPJJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c13-12-7-6-9(16-12)8-14-10-4-2-1-3-5-11(10)15/h6-7,10-11,14-15H,1-5,8H2.
What are the key properties of 2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol?
2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol has a molecular weight of 304.25 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol is sourced from PubChem (CID 61012171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).