1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine

C16H19BrN2O — CID 103576720

IUPAC1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(-c3ccc(Br)cc3)o2)CC1N
InChIInChI=1S/C16H19BrN2O/c1-11-8-19(10-15(11)18)9-14-6-7-16(20-14)12-2-4-13(17)5-3-12/h2-7,11,15H,8-10,18H2,1H3
InChIKeyHHNOLKSLBOCDOM-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.49
Rot. Bonds3

About 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine

1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine (PubChem CID 103576720) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine
PubChem CID103576720
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2ccc(-c3ccc(Br)cc3)o2)CC1N
InChIInChI=1S/C16H19BrN2O/c1-11-8-19(10-15(11)18)9-14-6-7-16(20-14)12-2-4-13(17)5-3-12/h2-7,11,15H,8-10,18H2,1H3
InChIKeyHHNOLKSLBOCDOM-UHFFFAOYSA-N
XLogP3.49
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 103577076
1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63032039
(2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine
CID 82761027
[1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol
CID 60642590
ethyl 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylate;hydrochloride
CID 120909270
1-[1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol
CID 154806372
4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-7-bromochromen-2-one
CID 103577096
1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575185
1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 127008917
1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316758
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylcyclopropane-1-carboxamide
CID 24588410
4-methyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-amine
CID 103576636

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine (CID 103576720) is 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2ccc(-c3ccc(Br)cc3)o2)CC1N.
What is the InChIKey of 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is HHNOLKSLBOCDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11-8-19(10-15(11)18)9-14-6-7-16(20-14)12-2-4-13(17)5-3-12/h2-7,11,15H,8-10,18H2,1H3.
What are the key properties of 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine?
1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 335.25 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103576720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).