N-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine

C12H11Br2NOS — CID 66352992

IUPACN-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine
SMILESCOc1c(Br)cc(CNc2ccsc2)cc1Br
InChIInChI=1S/C12H11Br2NOS/c1-16-12-10(13)4-8(5-11(12)14)6-15-9-2-3-17-7-9/h2-5,7,15H,6H2,1H3
InChIKeyOKOXBORCDHXWEF-UHFFFAOYSA-N
MW377.10 g/mol
LogP4.89
Rot. Bonds4

About N-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine

N-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine (PubChem CID 66352992) has the molecular formula C12H11Br2NOS and a molecular weight of 377.10 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine
PubChem CID66352992
Molecular FormulaC12H11Br2NOS
Molecular Weight377.10 g/mol
Exact Mass374.89
IUPAC NameN-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine
SMILESCOc1c(Br)cc(CNc2ccsc2)cc1Br
InChIInChI=1S/C12H11Br2NOS/c1-16-12-10(13)4-8(5-11(12)14)6-15-9-2-3-17-7-9/h2-5,7,15H,6H2,1H3
InChIKeyOKOXBORCDHXWEF-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.10
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-thiophen-3-ylmethanamine
CID 60776937
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224119
2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol
CID 66352322
5-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylaniline
CID 43787845
3,5-dichloro-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-fluoroaniline
CID 107572617
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1,3-benzothiazol-6-amine
CID 107803867
N-[(3,4-dimethylphenyl)methyl]thiophen-3-amine
CID 66349713
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-thiophen-3-ylethanamine
CID 62840115
N-[(6-methoxy-3-pyridinyl)methyl]thiophen-3-amine
CID 114936804
4-[(3,5-dibromo-4-methoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106953832
N-[(3-bromo-5-nitrophenyl)methyl]thiophen-3-amine
CID 103350889
N-[(3-ethoxy-4-methoxyphenyl)methyl]thiophen-3-amine
CID 66352513

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine?
The IUPAC name of N-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine (CID 66352992) is N-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine is COc1c(Br)cc(CNc2ccsc2)cc1Br.
What is the InChIKey of N-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine?
The InChIKey is OKOXBORCDHXWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NOS/c1-16-12-10(13)4-8(5-11(12)14)6-15-9-2-3-17-7-9/h2-5,7,15H,6H2,1H3.
What are the key properties of N-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine?
N-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine has a molecular weight of 377.10 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-methoxyphenyl)methyl]thiophen-3-amine is sourced from PubChem (CID 66352992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).