N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine

C17H26FNO — CID 116762140

IUPACN-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)C1(OCC)CCCC1
InChIInChI=1S/C17H26FNO/c1-4-19-16(14-12-13(3)8-9-15(14)18)17(20-5-2)10-6-7-11-17/h8-9,12,16,19H,4-7,10-11H2,1-3H3
InChIKeyBVBRHVOVAWWWBW-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.13
Rot. Bonds6

About N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine

N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine (PubChem CID 116762140) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
PubChem CID116762140
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)C1(OCC)CCCC1
InChIInChI=1S/C17H26FNO/c1-4-19-16(14-12-13(3)8-9-15(14)18)17(20-5-2)10-6-7-11-17/h8-9,12,16,19H,4-7,10-11H2,1-3H3
InChIKeyBVBRHVOVAWWWBW-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764056
N-[(1-ethoxycyclopentyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116762310
N-[(1-ethylcyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 115852769
(1-ethoxycycloheptyl)-(2-fluoro-5-methylphenyl)methanamine
CID 116770564
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765825
N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
CID 116762278
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
CID 116762398
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
CID 116762384
N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762306

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine (CID 116762140) is N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)ccc1F)C1(OCC)CCCC1.
What is the InChIKey of N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
The InChIKey is BVBRHVOVAWWWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-4-19-16(14-12-13(3)8-9-15(14)18)17(20-5-2)10-6-7-11-17/h8-9,12,16,19H,4-7,10-11H2,1-3H3.
What are the key properties of N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine?
N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine has a molecular weight of 279.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 116762140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).