1-(furan-2-yl)-4-methoxybutan-1-amine

C9H15NO2 — CID 62716134

IUPAC1-(furan-2-yl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1ccco1
InChIInChI=1S/C9H15NO2/c1-11-6-2-4-8(10)9-5-3-7-12-9/h3,5,7-8H,2,4,6,10H2,1H3
InChIKeyIXFJZZDOKJDUEN-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.71
Rot. Bonds5

About 1-(furan-2-yl)-4-methoxybutan-1-amine

1-(furan-2-yl)-4-methoxybutan-1-amine (PubChem CID 62716134) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-4-methoxybutan-1-amine
PubChem CID62716134
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(furan-2-yl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1ccco1
InChIInChI=1S/C9H15NO2/c1-11-6-2-4-8(10)9-5-3-7-12-9/h3,5,7-8H,2,4,6,10H2,1H3
InChIKeyIXFJZZDOKJDUEN-UHFFFAOYSA-N
XLogP1.71
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.71
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

1-(furan-2-yl)decan-1-amine
CID 62716123
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
(4S)-4-amino-4-(furan-2-yl)butan-1-ol
CID 131230101
(4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride
CID 171231726
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine
CID 105054856
(5S)-5-amino-5-(furan-2-yl)pentanoic acid
CID 55264220
3-amino-1-(furan-2-yl)-5-methoxypentan-1-ol
CID 103967416
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methoxypentanamide
CID 81088734
furan-2-yl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43464362

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-methoxybutan-1-amine?
The IUPAC name of 1-(furan-2-yl)-4-methoxybutan-1-amine (CID 62716134) is 1-(furan-2-yl)-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-4-methoxybutan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-4-methoxybutan-1-amine is COCCCC(N)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-4-methoxybutan-1-amine?
The InChIKey is IXFJZZDOKJDUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-11-6-2-4-8(10)9-5-3-7-12-9/h3,5,7-8H,2,4,6,10H2,1H3.
What are the key properties of 1-(furan-2-yl)-4-methoxybutan-1-amine?
1-(furan-2-yl)-4-methoxybutan-1-amine has a molecular weight of 169.22 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-methoxybutan-1-amine is sourced from PubChem (CID 62716134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).