N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine

C11H15Br2NOS — CID 102835764

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESBrc1cc(CNCC2CCOCC2)sc1Br
InChIInChI=1S/C11H15Br2NOS/c12-10-5-9(16-11(10)13)7-14-6-8-1-3-15-4-2-8/h5,8,14H,1-4,6-7H2
InChIKeyURQVAKPPPJFTCF-UHFFFAOYSA-N
MW369.12 g/mol
LogP3.79
Rot. Bonds4

About N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine

N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 102835764) has the molecular formula C11H15Br2NOS and a molecular weight of 369.12 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID102835764
Molecular FormulaC11H15Br2NOS
Molecular Weight369.12 g/mol
Exact Mass366.92
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESBrc1cc(CNCC2CCOCC2)sc1Br
InChIInChI=1S/C11H15Br2NOS/c12-10-5-9(16-11(10)13)7-14-6-8-1-3-15-4-2-8/h5,8,14H,1-4,6-7H2
InChIKeyURQVAKPPPJFTCF-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.12
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 115710507
2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 102836218
2-bromo-5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063014
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine
CID 115750363
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-(thian-4-yl)methanamine
CID 115710864
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine
CID 102836632
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 102835162
2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 102837489
2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol
CID 63726270
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287
1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102830980
[1-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 102836979

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine (CID 102835764) is N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine is Brc1cc(CNCC2CCOCC2)sc1Br.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is URQVAKPPPJFTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NOS/c12-10-5-9(16-11(10)13)7-14-6-8-1-3-15-4-2-8/h5,8,14H,1-4,6-7H2.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine?
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 369.12 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 102835764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).