[1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine

C9H12BrNS — CID 66025971

IUPAC[1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine
SMILESNCC1(Cc2cc(Br)cs2)CC1
InChIInChI=1S/C9H12BrNS/c10-7-3-8(12-5-7)4-9(6-11)1-2-9/h3,5H,1-2,4,6,11H2
InChIKeyGIXASBMPOFNAAP-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.79
Rot. Bonds3

About [1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine

[1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine (PubChem CID 66025971) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is [1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine
PubChem CID66025971
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name[1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine
SMILESNCC1(Cc2cc(Br)cs2)CC1
InChIInChI=1S/C9H12BrNS/c10-7-3-8(12-5-7)4-9(6-11)1-2-9/h3,5H,1-2,4,6,11H2
InChIKeyGIXASBMPOFNAAP-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[[1-(bromomethyl)cyclobutyl]methyl]thiophene
CID 66049313
4-[(4-bromothiophen-2-yl)methyl]oxan-4-amine
CID 63220178
2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]cyclohexan-1-ol
CID 65394644
1-[(4-bromothiophen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79856783
1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
CID 115680308
1-[(4-bromothiophen-2-yl)methyl]cycloheptane-1-carbonitrile
CID 65389916
1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol
CID 65147574
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,1-dioxothian-4-amine
CID 54984935
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine
CID 54984936
1-[(4-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64513419
1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroinden-1-amine
CID 55096011
3-[(4-bromothiophen-2-yl)methyl]oxan-3-ol
CID 65149057

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine?
The IUPAC name of [1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine (CID 66025971) is [1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine is NCC1(Cc2cc(Br)cs2)CC1.
What is the InChIKey of [1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine?
The InChIKey is GIXASBMPOFNAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNS/c10-7-3-8(12-5-7)4-9(6-11)1-2-9/h3,5H,1-2,4,6,11H2.
What are the key properties of [1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine?
[1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine has a molecular weight of 246.17 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine is sourced from PubChem (CID 66025971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).