1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine

C17H21BrN2O — CID 115316758

IUPAC1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H21BrN2O/c1-19-11-15-3-2-10-20(15)12-16-8-9-17(21-16)13-4-6-14(18)7-5-13/h4-9,15,19H,2-3,10-12H2,1H3
InChIKeyDMGRVBLDIRIGPN-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.89
Rot. Bonds5

About 1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine

1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 115316758) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID115316758
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H21BrN2O/c1-19-11-15-3-2-10-20(15)12-16-8-9-17(21-16)13-4-6-14(18)7-5-13/h4-9,15,19H,2-3,10-12H2,1H3
InChIKeyDMGRVBLDIRIGPN-UHFFFAOYSA-N
XLogP3.89
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol
CID 60642590
1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986156
(2R)-1-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methylpiperazine
CID 82761027
1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine
CID 63250076
1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928352
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17215932
1-[1-[(2-ethylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 113285206
1-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-methylpyrrolidin-3-amine
CID 103576720
1-[1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120842678
1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63032039
3-amino-N-[[1-[[5-(4-nitrophenyl)furan-2-yl]methyl]piperidin-2-yl]methyl]propanamide
CID 120911164
1-[1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316871

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine (CID 115316758) is 1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1Cc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is DMGRVBLDIRIGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-19-11-15-3-2-10-20(15)12-16-8-9-17(21-16)13-4-6-14(18)7-5-13/h4-9,15,19H,2-3,10-12H2,1H3.
What are the key properties of 1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 349.27 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 115316758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).