N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine

C14H16ClNO2 — CID 62453744

IUPACN-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H16ClNO2/c1-2-16-9-13-7-8-14(18-13)10-17-12-5-3-11(15)4-6-12/h3-8,16H,2,9-10H2,1H3
InChIKeyPLXNPKHDMGWHBG-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.62
Rot. Bonds6

About N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine

N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine (PubChem CID 62453744) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine
PubChem CID62453744
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC NameN-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H16ClNO2/c1-2-16-9-13-7-8-14(18-13)10-17-12-5-3-11(15)4-6-12/h3-8,16H,2,9-10H2,1H3
InChIKeyPLXNPKHDMGWHBG-UHFFFAOYSA-N
XLogP3.62
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62484481
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62453746
N-[[5-[(4-chlorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62453750
N-[[5-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62451647
N-[[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62454887
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
CID 4740544
N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 717019
methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate
CID 7919225
N-[[5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-yl]methyl]ethanamine
CID 114792502
N-[[5-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
CID 62412356
5-[(4-chlorophenoxy)methyl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 19415421

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine (CID 62453744) is N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine is CCNCc1ccc(COc2ccc(Cl)cc2)o1.
What is the InChIKey of N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is PLXNPKHDMGWHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-2-16-9-13-7-8-14(18-13)10-17-12-5-3-11(15)4-6-12/h3-8,16H,2,9-10H2,1H3.
What are the key properties of N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine?
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 265.74 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62453744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).