N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine

C17H22FNO2 — CID 114730943

IUPACN-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc2cc(F)ccc2o1)C1(OC)CCCC1
InChIInChI=1S/C17H22FNO2/c1-3-19-16(17(20-2)8-4-5-9-17)15-11-12-10-13(18)6-7-14(12)21-15/h6-7,10-11,16,19H,3-5,8-9H2,1-2H3
InChIKeyMTLQACCZVNHXJB-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.18
Rot. Bonds5

About N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine

N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine (PubChem CID 114730943) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
PubChem CID114730943
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC NameN-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc2cc(F)ccc2o1)C1(OC)CCCC1
InChIInChI=1S/C17H22FNO2/c1-3-19-16(17(20-2)8-4-5-9-17)15-11-12-10-13(18)6-7-14(12)21-15/h6-7,10-11,16,19H,3-5,8-9H2,1-2H3
InChIKeyMTLQACCZVNHXJB-UHFFFAOYSA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine
CID 114731424
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559886
N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 116763237
N-[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611176
N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730941
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105046277
1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114731419
N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765061
[(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methyl]hydrazine
CID 105256316
N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 114729354
N-[(1-methoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116763285
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine (CID 114730943) is N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine is CCNC(c1cc2cc(F)ccc2o1)C1(OC)CCCC1.
What is the InChIKey of N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine?
The InChIKey is MTLQACCZVNHXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-3-19-16(17(20-2)8-4-5-9-17)15-11-12-10-13(18)6-7-14(12)21-15/h6-7,10-11,16,19H,3-5,8-9H2,1-2H3.
What are the key properties of N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine?
N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine has a molecular weight of 291.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine is sourced from PubChem (CID 114730943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).