1-(furan-2-yl)-N-phenylmethoxypropan-1-amine

C14H17NO2 — CID 82709043

IUPAC1-(furan-2-yl)-N-phenylmethoxypropan-1-amine
SMILESCCC(NOCc1ccccc1)c1ccco1
InChIInChI=1S/C14H17NO2/c1-2-13(14-9-6-10-16-14)15-17-11-12-7-4-3-5-8-12/h3-10,13,15H,2,11H2,1H3
InChIKeyGLYRARCKLPDJGY-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.45
Rot. Bonds6

About 1-(furan-2-yl)-N-phenylmethoxypropan-1-amine

1-(furan-2-yl)-N-phenylmethoxypropan-1-amine (PubChem CID 82709043) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-phenylmethoxypropan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-phenylmethoxypropan-1-amine
PubChem CID82709043
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(furan-2-yl)-N-phenylmethoxypropan-1-amine
SMILESCCC(NOCc1ccccc1)c1ccco1
InChIInChI=1S/C14H17NO2/c1-2-13(14-9-6-10-16-14)15-17-11-12-7-4-3-5-8-12/h3-10,13,15H,2,11H2,1H3
InChIKeyGLYRARCKLPDJGY-UHFFFAOYSA-N
XLogP3.45
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine
CID 82710316
(2S)-1-phenyl-N-phenylmethoxybutan-2-amine
CID 124575121
1-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine
CID 62631959
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
N-[(1S)-1-(furan-2-yl)-2-phenylethyl]propan-2-amine
CID 125485917
N-[1-(furan-2-yl)propyl]-2-(methoxymethyl)aniline
CID 62631803
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133
1-(furan-2-yl)-2-phenylmethoxyethanamine
CID 16788903
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
1-(furan-2-yl)-N-phenylmethoxymethanamine
CID 82709159
(R)-N-[(1S)-1-(furan-2-yl)propyl]-2-methylpropane-2-sulfinamide
CID 135000754
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-phenylmethoxypropan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-phenylmethoxypropan-1-amine (CID 82709043) is 1-(furan-2-yl)-N-phenylmethoxypropan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-phenylmethoxypropan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-phenylmethoxypropan-1-amine is CCC(NOCc1ccccc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-phenylmethoxypropan-1-amine?
The InChIKey is GLYRARCKLPDJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-13(14-9-6-10-16-14)15-17-11-12-7-4-3-5-8-12/h3-10,13,15H,2,11H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-phenylmethoxypropan-1-amine?
1-(furan-2-yl)-N-phenylmethoxypropan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-phenylmethoxypropan-1-amine is sourced from PubChem (CID 82709043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).