1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine

C12H11BrClNO — CID 60658991

IUPAC1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine
SMILESClc1ccc(CNCc2ccc(Br)cc2)o1
InChIInChI=1S/C12H11BrClNO/c13-10-3-1-9(2-4-10)7-15-8-11-5-6-12(14)16-11/h1-6,15H,7-8H2
InChIKeyIBPRQYAGPNHNEA-UHFFFAOYSA-N
MW300.58 g/mol
LogP3.99
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine

1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine (PubChem CID 60658991) has the molecular formula C12H11BrClNO and a molecular weight of 300.58 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine
PubChem CID60658991
Molecular FormulaC12H11BrClNO
Molecular Weight300.58 g/mol
Exact Mass298.97
IUPAC Name1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine
SMILESClc1ccc(CNCc2ccc(Br)cc2)o1
InChIInChI=1S/C12H11BrClNO/c13-10-3-1-9(2-4-10)7-15-8-11-5-6-12(14)16-11/h1-6,15H,7-8H2
InChIKeyIBPRQYAGPNHNEA-UHFFFAOYSA-N
XLogP3.99
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol
CID 115572171
N-[(5-chlorofuran-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 60659002
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 4723780
1-(1,3-benzodioxol-5-yl)-N-[(5-chlorofuran-2-yl)methyl]methanamine
CID 60662705
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine
CID 60658982
1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 60664059
N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine
CID 60659041
2-[(5-chlorofuran-2-yl)methylamino]acetic acid
CID 60769646
3-[[(5-chlorofuran-2-yl)methylamino]methyl]benzenesulfonamide
CID 60859954
1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 834417
1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine
CID 106816098
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 17213094

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine (CID 60658991) is 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine is Clc1ccc(CNCc2ccc(Br)cc2)o1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine?
The InChIKey is IBPRQYAGPNHNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO/c13-10-3-1-9(2-4-10)7-15-8-11-5-6-12(14)16-11/h1-6,15H,7-8H2.
What are the key properties of 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine?
1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine has a molecular weight of 300.58 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine is sourced from PubChem (CID 60658991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).