1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine

C13H14BrNO — CID 60984036

IUPAC1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine
SMILESCc1cc(Br)ccc1CNCc1ccco1
InChIInChI=1S/C13H14BrNO/c1-10-7-12(14)5-4-11(10)8-15-9-13-3-2-6-16-13/h2-7,15H,8-9H2,1H3
InChIKeyYKVDDLIGZQBLMN-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.64
Rot. Bonds4

About 1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine

1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine (PubChem CID 60984036) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine
PubChem CID60984036
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine
SMILESCc1cc(Br)ccc1CNCc1ccco1
InChIInChI=1S/C13H14BrNO/c1-10-7-12(14)5-4-11(10)8-15-9-13-3-2-6-16-13/h2-7,15H,8-9H2,1H3
InChIKeyYKVDDLIGZQBLMN-UHFFFAOYSA-N
XLogP3.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-methylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81110948
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
1-[(4-bromo-2-methylphenyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111787101
N-[(2,6-dimethylphenyl)methyl]-1-(furan-2-yl)methanamine
CID 81327593
2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide
CID 6472928
N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 66160828
3-bromo-4-[(furan-2-ylmethylamino)methyl]benzoic acid
CID 103235131
[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105331439
1-(4-bromo-2-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 55081450
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 4723153
N-(furan-2-ylmethyl)-1-naphthalen-1-ylmethanamine
CID 1090542

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine (CID 60984036) is 1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine is Cc1cc(Br)ccc1CNCc1ccco1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine?
The InChIKey is YKVDDLIGZQBLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-10-7-12(14)5-4-11(10)8-15-9-13-3-2-6-16-13/h2-7,15H,8-9H2,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine?
1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine has a molecular weight of 280.16 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 60984036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).