3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine

C18H24ClNO2 — CID 17207893

IUPAC3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCCOCCCNCc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H24ClNO2/c1-2-3-12-21-13-6-11-20-14-15-9-10-18(22-15)16-7-4-5-8-17(16)19/h4-5,7-10,20H,2-3,6,11-14H2,1H3
InChIKeyNRVLUSAKBRCLSZ-UHFFFAOYSA-N
MW321.85 g/mol
LogP4.90
Rot. Bonds10

About 3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine

3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 17207893) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine
PubChem CID17207893
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCCOCCCNCc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H24ClNO2/c1-2-3-12-21-13-6-11-20-14-15-9-10-18(22-15)16-7-4-5-8-17(16)19/h4-5,7-10,20H,2-3,6,11-14H2,1H3
InChIKeyNRVLUSAKBRCLSZ-UHFFFAOYSA-N
XLogP4.90
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 54.90
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

3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17207840
3-butoxy-N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207913
3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 115572603
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine
CID 17207835
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine;hydrochloride
CID 17207834
2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 61168934
2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 4725309
N'-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 4724375
1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
CID 110929359
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl]-3-ethoxypropan-1-amine
CID 119107664
3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 102536585

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine (CID 17207893) is 3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine is CCCCOCCCNCc1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is NRVLUSAKBRCLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO2/c1-2-3-12-21-13-6-11-20-14-15-9-10-18(22-15)16-7-4-5-8-17(16)19/h4-5,7-10,20H,2-3,6,11-14H2,1H3.
What are the key properties of 3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine?
3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 321.85 g/mol, XLogP of 4.90, 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-chlorophenyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 17207893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).