3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride

C18H24Cl3NO2 — CID 17207840

IUPAC3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
SMILESCCCCOCCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1.Cl
InChIInChI=1S/C18H23Cl2NO2.ClH/c1-2-3-10-22-11-4-9-21-13-15-6-8-18(23-15)16-7-5-14(19)12-17(16)20;/h5-8,12,21H,2-4,9-11,13H2,1H3;1H
InChIKeyLCGBEPLTXHBUEU-UHFFFAOYSA-N
MW392.75 g/mol
LogP5.97
Rot. Bonds10

About 3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride

3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride (PubChem CID 17207840) has the molecular formula C18H24Cl3NO2 and a molecular weight of 392.75 g/mol. Its IUPAC name is 3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
PubChem CID17207840
Molecular FormulaC18H24Cl3NO2
Molecular Weight392.75 g/mol
Exact Mass391.09
IUPAC Name3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
SMILESCCCCOCCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1.Cl
InChIInChI=1S/C18H23Cl2NO2.ClH/c1-2-3-10-22-11-4-9-21-13-15-6-8-18(23-15)16-7-5-14(19)12-17(16)20;/h5-8,12,21H,2-4,9-11,13H2,1H3;1H
InChIKeyLCGBEPLTXHBUEU-UHFFFAOYSA-N
XLogP5.97
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.75
LogP ≤ 55.97
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-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
3-butoxy-N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207913
3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207893
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17056161
3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 115572603
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl]-3-ethoxypropan-1-amine
CID 119107664
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056191
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 4723557
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine;hydrochloride
CID 17207834
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine
CID 17207835

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride?
The IUPAC name of 3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride (CID 17207840) is 3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride is CCCCOCCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1.Cl.
What is the InChIKey of 3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride?
The InChIKey is LCGBEPLTXHBUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2NO2.ClH/c1-2-3-10-22-11-4-9-21-13-15-6-8-18(23-15)16-7-5-14(19)12-17(16)20;/h5-8,12,21H,2-4,9-11,13H2,1H3;1H.
What are the key properties of 3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride?
3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride has a molecular weight of 392.75 g/mol, XLogP of 5.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 17207840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).