N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine

C17H22ClNO2 — CID 114730941

IUPACN-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(Cl)c2o1)C1(OC)CCCC1
InChIInChI=1S/C17H22ClNO2/c1-3-19-16(17(20-2)9-4-5-10-17)14-11-12-7-6-8-13(18)15(12)21-14/h6-8,11,16,19H,3-5,9-10H2,1-2H3
InChIKeyXCCHUQGFCWBRNL-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.70
Rot. Bonds5

About N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine

N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine (PubChem CID 114730941) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
PubChem CID114730941
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC NameN-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(Cl)c2o1)C1(OC)CCCC1
InChIInChI=1S/C17H22ClNO2/c1-3-19-16(17(20-2)9-4-5-10-17)14-11-12-7-6-8-13(18)15(12)21-14/h6-8,11,16,19H,3-5,9-10H2,1-2H3
InChIKeyXCCHUQGFCWBRNL-UHFFFAOYSA-N
XLogP4.70
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830655
N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine
CID 114731424
1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105048569
N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730943
N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 114275214
N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611302
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
N-[(7-chloro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105048624
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine
CID 114733575
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 114727840
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105048494
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine (CID 114730941) is N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine is CCNC(c1cc2cccc(Cl)c2o1)C1(OC)CCCC1.
What is the InChIKey of N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine?
The InChIKey is XCCHUQGFCWBRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-3-19-16(17(20-2)9-4-5-10-17)14-11-12-7-6-8-13(18)15(12)21-14/h6-8,11,16,19H,3-5,9-10H2,1-2H3.
What are the key properties of N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine?
N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine has a molecular weight of 307.82 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine is sourced from PubChem (CID 114730941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).