N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine

C20H20ClNO2 — CID 11233153

IUPACN-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCc1ccc(OCc2cccc(Cl)c2)cc1)c1ccco1
InChIInChI=1S/C20H20ClNO2/c1-15(20-6-3-11-23-20)22-13-16-7-9-19(10-8-16)24-14-17-4-2-5-18(21)12-17/h2-12,15,22H,13-14H2,1H3
InChIKeyANOSEBISBNNTNJ-UHFFFAOYSA-N
MW341.84 g/mol
LogP5.36
Rot. Bonds7

About N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine

N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine (PubChem CID 11233153) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine
PubChem CID11233153
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC NameN-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCc1ccc(OCc2cccc(Cl)c2)cc1)c1ccco1
InChIInChI=1S/C20H20ClNO2/c1-15(20-6-3-11-23-20)22-13-16-7-9-19(10-8-16)24-14-17-4-2-5-18(21)12-17/h2-12,15,22H,13-14H2,1H3
InChIKeyANOSEBISBNNTNJ-UHFFFAOYSA-N
XLogP5.36
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.84
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine with MolForge

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Related Compounds

(1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 81402794
(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402683
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 39438794
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403339
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 104928554
(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81403687
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181990
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
(1S)-N-[(3-chloro-4-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 106816999
(2S)-N-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993520

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine (CID 11233153) is N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine is CC(NCc1ccc(OCc2cccc(Cl)c2)cc1)c1ccco1.
What is the InChIKey of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is ANOSEBISBNNTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-15(20-6-3-11-23-20)22-13-16-7-9-19(10-8-16)24-14-17-4-2-5-18(21)12-17/h2-12,15,22H,13-14H2,1H3.
What are the key properties of N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine?
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 341.84 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 11233153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).