2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine

C20H20ClNO3 — CID 21157730

IUPAC2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine
SMILESCOc1cc(CC(N)c2ccco2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C20H20ClNO3/c1-23-20-12-14(11-17(22)18-6-3-9-24-18)7-8-19(20)25-13-15-4-2-5-16(21)10-15/h2-10,12,17H,11,13,22H2,1H3
InChIKeyDWOKLSDQKXASKU-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.76
Rot. Bonds7

About 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine

2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine (PubChem CID 21157730) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine
PubChem CID21157730
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine
SMILESCOc1cc(CC(N)c2ccco2)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C20H20ClNO3/c1-23-20-12-14(11-17(22)18-6-3-9-24-18)7-8-19(20)25-13-15-4-2-5-16(21)10-15/h2-10,12,17H,11,13,22H2,1H3
InChIKeyDWOKLSDQKXASKU-UHFFFAOYSA-N
XLogP4.76
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-pyridin-3-ylethanamine
CID 21156761
2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 3052546
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17293993
3-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-2-ethoxypropanoic acid
CID 139894799
1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
CID 17293750
2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid
CID 66527554
1-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)butan-2-amine
CID 65124380
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1-pyridin-3-ylethanamine
CID 21148418
2-(3-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 81284039
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4722411
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)ethanamine
CID 11233153

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine (CID 21157730) is 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine is COc1cc(CC(N)c2ccco2)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine?
The InChIKey is DWOKLSDQKXASKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-23-20-12-14(11-17(22)18-6-3-9-24-18)7-8-19(20)25-13-15-4-2-5-16(21)10-15/h2-10,12,17H,11,13,22H2,1H3.
What are the key properties of 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine?
2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine has a molecular weight of 357.84 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 21157730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).