1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine

C14H16ClNO2 — CID 55076714

IUPAC1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(COc2ccc(Cl)cc2C)o1
InChIInChI=1S/C14H16ClNO2/c1-10-7-11(15)3-6-14(10)17-9-13-5-4-12(18-13)8-16-2/h3-7,16H,8-9H2,1-2H3
InChIKeyVTTCKKGEOZFFSC-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.54
Rot. Bonds5

About 1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine

1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine (PubChem CID 55076714) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
PubChem CID55076714
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(COc2ccc(Cl)cc2C)o1
InChIInChI=1S/C14H16ClNO2/c1-10-7-11(15)3-6-14(10)17-9-13-5-4-12(18-13)8-16-2/h3-7,16H,8-9H2,1-2H3
InChIKeyVTTCKKGEOZFFSC-UHFFFAOYSA-N
XLogP3.54
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55076921
1-[5-[(5-fluoro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 102980972
5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 19457491
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63498236
4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 79582746
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19457390
1-[5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]furan-2-yl]-N-methylmethanamine
CID 103175544
[5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62460326
[5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 62458540
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 19457438
1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 63036465
5-[(4-chloro-2-methylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393497

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine (CID 55076714) is 1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine is CNCc1ccc(COc2ccc(Cl)cc2C)o1.
What is the InChIKey of 1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is VTTCKKGEOZFFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10-7-11(15)3-6-14(10)17-9-13-5-4-12(18-13)8-16-2/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine?
1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 265.74 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 55076714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).