N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine

C21H22ClNO2 — CID 17057150

IUPACN-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1
InChIInChI=1S/C21H22ClNO2/c1-15-3-6-17(13-20(15)22)21-10-9-19(25-21)14-23-12-11-16-4-7-18(24-2)8-5-16/h3-10,13,23H,11-12,14H2,1-2H3
InChIKeyQPRWQSINNZEGET-UHFFFAOYSA-N
MW355.87 g/mol
LogP5.25
Rot. Bonds7

About N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine

N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine (PubChem CID 17057150) has the molecular formula C21H22ClNO2 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine
PubChem CID17057150
Molecular FormulaC21H22ClNO2
Molecular Weight355.87 g/mol
Exact Mass355.13
IUPAC NameN-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1
InChIInChI=1S/C21H22ClNO2/c1-15-3-6-17(13-20(15)22)21-10-9-19(25-21)14-23-12-11-16-4-7-18(24-2)8-5-16/h3-10,13,23H,11-12,14H2,1-2H3
InChIKeyQPRWQSINNZEGET-UHFFFAOYSA-N
XLogP5.25
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.87
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17332138
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
CID 17331908
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-phenylethanamine
CID 4725324
dimethyl 5-[5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-2-yl]benzene-1,3-dicarboxylate;hydrochloride
CID 17333468
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17333127
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]heptan-1-amine;hydrochloride
CID 17057126
2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride
CID 17156649
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207432
5-[[2-(4-methoxyphenyl)ethylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 103232742
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211431
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride
CID 17208659
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine (CID 17057150) is N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine is COc1ccc(CCNCc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1.
What is the InChIKey of N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine?
The InChIKey is QPRWQSINNZEGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO2/c1-15-3-6-17(13-20(15)22)21-10-9-19(25-21)14-23-12-11-16-4-7-18(24-2)8-5-16/h3-10,13,23H,11-12,14H2,1-2H3.
What are the key properties of N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine?
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine has a molecular weight of 355.87 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 17057150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).