N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine

C17H22BrNO2 — CID 82808168

IUPACN-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1cc(COCc2ccc(Br)cc2)oc1CNC(C)C
InChIInChI=1S/C17H22BrNO2/c1-12(2)19-9-17-13(3)8-16(21-17)11-20-10-14-4-6-15(18)7-5-14/h4-8,12,19H,9-11H2,1-3H3
InChIKeyABTYVHDTAOTHLQ-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.57
Rot. Bonds7

About N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine

N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine (PubChem CID 82808168) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
PubChem CID82808168
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC NameN-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1cc(COCc2ccc(Br)cc2)oc1CNC(C)C
InChIInChI=1S/C17H22BrNO2/c1-12(2)19-9-17-13(3)8-16(21-17)11-20-10-14-4-6-15(18)7-5-14/h4-8,12,19H,9-11H2,1-3H3
InChIKeyABTYVHDTAOTHLQ-UHFFFAOYSA-N
XLogP4.57
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methanamine
CID 82831775
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]propan-2-amine
CID 106450107
N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62449443
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63497884
N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62470359
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
CID 62445758
N-[[5-[(4-chloro-3-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63490596
N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine
CID 82807557
N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 64730648
N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866
1-[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 115402794
N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 114413435

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine (CID 82808168) is N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine is Cc1cc(COCc2ccc(Br)cc2)oc1CNC(C)C.
What is the InChIKey of N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The InChIKey is ABTYVHDTAOTHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-12(2)19-9-17-13(3)8-16(21-17)11-20-10-14-4-6-15(18)7-5-14/h4-8,12,19H,9-11H2,1-3H3.
What are the key properties of N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine has a molecular weight of 352.27 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 82808168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).