[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine

C13H14ClNO2 — CID 65125204

IUPAC[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine
SMILESNCc1ccoc1COCc1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO2/c14-12-3-1-2-10(6-12)8-16-9-13-11(7-15)4-5-17-13/h1-6H,7-9,15H2
InChIKeyAWJQPIGCSIVIOQ-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.11
Rot. Bonds5

About [2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine

[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine (PubChem CID 65125204) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine
PubChem CID65125204
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine
SMILESNCc1ccoc1COCc1cccc(Cl)c1
InChIInChI=1S/C13H14ClNO2/c14-12-3-1-2-10(6-12)8-16-9-13-11(7-15)4-5-17-13/h1-6H,7-9,15H2
InChIKeyAWJQPIGCSIVIOQ-UHFFFAOYSA-N
XLogP3.11
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine
CID 62459366
N-[[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 65125350
1-[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]-N-methylmethanamine
CID 65125404
N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 65125402
[2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine
CID 63984257
1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene
CID 65490546
2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole
CID 80607272
[4-[(3-chlorophenyl)methoxymethyl]phenyl]-trimethylsilane
CID 103438691
4-[(3-chlorophenyl)methoxy]but-2-en-1-amine
CID 77110729
[2-[(3-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methanamine
CID 105391554
[2-(but-3-enoxymethyl)furan-3-yl]methanamine
CID 62440746
2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone
CID 65126472

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine?
The IUPAC name of [2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine (CID 65125204) is [2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine?
The canonical SMILES for [2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine is NCc1ccoc1COCc1cccc(Cl)c1.
What is the InChIKey of [2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine?
The InChIKey is AWJQPIGCSIVIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c14-12-3-1-2-10(6-12)8-16-9-13-11(7-15)4-5-17-13/h1-6H,7-9,15H2.
What are the key properties of [2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine?
[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine has a molecular weight of 251.71 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine is sourced from PubChem (CID 65125204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).