N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine

C14H16ClNO2 — CID 54863574

IUPACN-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2ccc(Cl)o2)c1
InChIInChI=1S/C14H16ClNO2/c1-10(11-4-3-5-12(8-11)17-2)16-9-13-6-7-14(15)18-13/h3-8,10,16H,9H2,1-2H3
InChIKeyIDUVAOTYCRCVLP-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.79
Rot. Bonds5

About N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine

N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 54863574) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID54863574
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCc2ccc(Cl)o2)c1
InChIInChI=1S/C14H16ClNO2/c1-10(11-4-3-5-12(8-11)17-2)16-9-13-6-7-14(15)18-13/h3-8,10,16H,9H2,1-2H3
InChIKeyIDUVAOTYCRCVLP-UHFFFAOYSA-N
XLogP3.79
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 54863619
methyl 5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81354745
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951148
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
5-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103258045
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376151
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103954655
(1S)-N-[(5-chlorofuran-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 93317247
(1S)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354425
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43204723

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine (CID 54863574) is N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NCc2ccc(Cl)o2)c1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is IDUVAOTYCRCVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10(11-4-3-5-12(8-11)17-2)16-9-13-6-7-14(15)18-13/h3-8,10,16H,9H2,1-2H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine?
N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 265.74 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 54863574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).