[3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine

C13H14ClNO2 — CID 55077923

IUPAC[3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine
SMILESCc1cc(OCc2ccoc2CN)ccc1Cl
InChIInChI=1S/C13H14ClNO2/c1-9-6-11(2-3-12(9)14)17-8-10-4-5-16-13(10)7-15/h2-6H,7-8,15H2,1H3
InChIKeyTWTHMVXRKGJENM-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.28
Rot. Bonds4

About [3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine

[3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine (PubChem CID 55077923) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is [3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine
PubChem CID55077923
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name[3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine
SMILESCc1cc(OCc2ccoc2CN)ccc1Cl
InChIInChI=1S/C13H14ClNO2/c1-9-6-11(2-3-12(9)14)17-8-10-4-5-16-13(10)7-15/h2-6H,7-8,15H2,1H3
InChIKeyTWTHMVXRKGJENM-UHFFFAOYSA-N
XLogP3.28
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62450029
[3-[(4-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62454073
1-[3-[(3,4-dichlorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62485941
[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine
CID 43530909
[3-[(4-butylphenoxy)methyl]furan-2-yl]methanamine
CID 115493291
N-[[3-[(4-chloro-3-ethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62486443
4-[(4-chloro-3-methylphenoxy)methyl]-3-methylbenzonitrile
CID 114481523
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethylaniline
CID 12526906
[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338262
[2-[(4-chloro-3-methylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82298036
N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63498079
[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine
CID 62459366

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of [3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine (CID 55077923) is [3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for [3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine is Cc1cc(OCc2ccoc2CN)ccc1Cl.
What is the InChIKey of [3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is TWTHMVXRKGJENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-9-6-11(2-3-12(9)14)17-8-10-4-5-16-13(10)7-15/h2-6H,7-8,15H2,1H3.
What are the key properties of [3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine?
[3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 251.71 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 55077923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).