N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine

C19H25ClN2O2 — CID 17215876

IUPACN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
SMILESCCN1CCCC1CNCc1ccc(-c2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C19H25ClN2O2/c1-3-22-10-4-5-15(22)12-21-13-16-7-9-18(24-16)14-6-8-19(23-2)17(20)11-14/h6-9,11,15,21H,3-5,10,12-13H2,1-2H3
InChIKeyHOIFSAIDAIHGAR-UHFFFAOYSA-N
MW348.87 g/mol
LogP4.18
Rot. Bonds7

About N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine

N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine (PubChem CID 17215876) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
PubChem CID17215876
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
SMILESCCN1CCCC1CNCc1ccc(-c2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C19H25ClN2O2/c1-3-22-10-4-5-15(22)12-21-13-16-7-9-18(24-16)14-6-8-19(23-2)17(20)11-14/h6-9,11,15,21H,3-5,10,12-13H2,1-2H3
InChIKeyHOIFSAIDAIHGAR-UHFFFAOYSA-N
XLogP4.18
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17215932
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17215877
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17215860
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17215859
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
CID 4724475
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103698755
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4724521
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628263
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17333054
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 2989893
4-chloro-2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-6-methoxyphenol
CID 104645968

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine (CID 17215876) is N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine is CCN1CCCC1CNCc1ccc(-c2ccc(OC)c(Cl)c2)o1.
What is the InChIKey of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
The InChIKey is HOIFSAIDAIHGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-3-22-10-4-5-15(22)12-21-13-16-7-9-18(24-16)14-6-8-19(23-2)17(20)11-14/h6-9,11,15,21H,3-5,10,12-13H2,1-2H3.
What are the key properties of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine?
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine has a molecular weight of 348.87 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 17215876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).