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

C12H20ClNO2 — CID 115572603

IUPAC3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
SMILESCCCCOCCCNCc1ccc(Cl)o1
InChIInChI=1S/C12H20ClNO2/c1-2-3-8-15-9-4-7-14-10-11-5-6-12(13)16-11/h5-6,14H,2-4,7-10H2,1H3
InChIKeyDDPKJIAFRBONGY-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.23
Rot. Bonds9

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

3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine (PubChem CID 115572603) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
PubChem CID115572603
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
SMILESCCCCOCCCNCc1ccc(Cl)o1
InChIInChI=1S/C12H20ClNO2/c1-2-3-8-15-9-4-7-14-10-11-5-6-12(13)16-11/h5-6,14H,2-4,7-10H2,1H3
InChIKeyDDPKJIAFRBONGY-UHFFFAOYSA-N
XLogP3.23
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.23
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

2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 61168934
2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
CID 103992501
N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride
CID 115584528
N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 60662772
3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207893
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
3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17207840
[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol
CID 64591603
3-butoxy-N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207913
2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol
CID 60663886
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-propoxypropan-1-amine
CID 82940790

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine (CID 115572603) is 3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine is CCCCOCCCNCc1ccc(Cl)o1.
What is the InChIKey of 3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine?
The InChIKey is DDPKJIAFRBONGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c1-2-3-8-15-9-4-7-14-10-11-5-6-12(13)16-11/h5-6,14H,2-4,7-10H2,1H3.
What are the key properties of 3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine?
3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine has a molecular weight of 245.75 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115572603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).