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

C18H24BrNO2 — CID 17207835

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine
SMILESCCCCOCCCNCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C18H24BrNO2/c1-2-3-12-21-13-4-11-20-14-17-9-10-18(22-17)15-5-7-16(19)8-6-15/h5-10,20H,2-4,11-14H2,1H3
InChIKeyQBBCAGXQBXJSGI-UHFFFAOYSA-N
MW366.30 g/mol
LogP5.01
Rot. Bonds10

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

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine (PubChem CID 17207835) has the molecular formula C18H24BrNO2 and a molecular weight of 366.30 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine
PubChem CID17207835
Molecular FormulaC18H24BrNO2
Molecular Weight366.30 g/mol
Exact Mass365.10
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine
SMILESCCCCOCCCNCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C18H24BrNO2/c1-2-3-12-21-13-4-11-20-14-17-9-10-18(22-17)15-5-7-16(19)8-6-15/h5-10,20H,2-4,11-14H2,1H3
InChIKeyQBBCAGXQBXJSGI-UHFFFAOYSA-N
XLogP5.01
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.30
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine;hydrochloride
CID 17207834
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 115572603
3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207893
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
CID 4723512
2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 61168934
methyl 4-[5-[(hexylamino)methyl]furan-2-yl]benzoate
CID 4724301
3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17207840
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056314
3-butoxy-N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207913
[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol
CID 64591603

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine (CID 17207835) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine is CCCCOCCCNCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine?
The InChIKey is QBBCAGXQBXJSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO2/c1-2-3-12-21-13-4-11-20-14-17-9-10-18(22-17)15-5-7-16(19)8-6-15/h5-10,20H,2-4,11-14H2,1H3.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine has a molecular weight of 366.30 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine is sourced from PubChem (CID 17207835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).