[5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine

C14H16ClNO2 — CID 62460326

IUPAC[5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
SMILESCc1cc(Cl)ccc1OCc1cc(CN)c(C)o1
InChIInChI=1S/C14H16ClNO2/c1-9-5-12(15)3-4-14(9)17-8-13-6-11(7-16)10(2)18-13/h3-6H,7-8,16H2,1-2H3
InChIKeyXUGUIGDTCKSSBK-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.59
Rot. Bonds4

About [5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine

[5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine (PubChem CID 62460326) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is [5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
PubChem CID62460326
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name[5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
SMILESCc1cc(Cl)ccc1OCc1cc(CN)c(C)o1
InChIInChI=1S/C14H16ClNO2/c1-9-5-12(15)3-4-14(9)17-8-13-6-11(7-16)10(2)18-13/h3-6H,7-8,16H2,1-2H3
InChIKeyXUGUIGDTCKSSBK-UHFFFAOYSA-N
XLogP3.59
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(4-tert-butyl-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62486073
[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62453737
[2-methyl-5-[(2,4,5-trichlorophenoxy)methyl]furan-3-yl]methanamine
CID 62452165
[5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 62458540
4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 79582746
5-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 62101754
1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55076714
2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 115464889
1-[5-[(2,4-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 55078077
4-[(4-chloro-2-methylphenoxy)methyl]-3-methylbenzonitrile
CID 114481490
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62450215
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63496240

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine?
The IUPAC name of [5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine (CID 62460326) is [5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine.
What is the SMILES notation for [5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine?
The canonical SMILES for [5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine is Cc1cc(Cl)ccc1OCc1cc(CN)c(C)o1.
What is the InChIKey of [5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine?
The InChIKey is XUGUIGDTCKSSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9-5-12(15)3-4-14(9)17-8-13-6-11(7-16)10(2)18-13/h3-6H,7-8,16H2,1-2H3.
What are the key properties of [5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine?
[5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine has a molecular weight of 265.74 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine is sourced from PubChem (CID 62460326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).