1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine

C16H25FN2 — CID 115968095

IUPAC1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
SMILESCCN1CCC(CNCc2cc(F)ccc2C)CC1
InChIInChI=1S/C16H25FN2/c1-3-19-8-6-14(7-9-19)11-18-12-15-10-16(17)5-4-13(15)2/h4-5,10,14,18H,3,6-9,11-12H2,1-2H3
InChIKeyXFQRROPNTIEGQC-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.96
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine

1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine (PubChem CID 115968095) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
PubChem CID115968095
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
SMILESCCN1CCC(CNCc2cc(F)ccc2C)CC1
InChIInChI=1S/C16H25FN2/c1-3-19-8-6-14(7-9-19)11-18-12-15-10-16(17)5-4-13(15)2/h4-5,10,14,18H,3,6-9,11-12H2,1-2H3
InChIKeyXFQRROPNTIEGQC-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 103943629
1-(4-ethylmorpholin-2-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968124
1-(1-ethylpiperidin-4-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 104791714
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol
CID 55203794
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 102615607
N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
CID 114452786
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline
CID 66417480
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 115761800
1-(1-ethylpiperidin-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 113243107
N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
CID 81497827
N-[[1-[(2-bromo-5-fluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80552381

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine (CID 115968095) is 1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine is CCN1CCC(CNCc2cc(F)ccc2C)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine?
The InChIKey is XFQRROPNTIEGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-19-8-6-14(7-9-19)11-18-12-15-10-16(17)5-4-13(15)2/h4-5,10,14,18H,3,6-9,11-12H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine?
1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine has a molecular weight of 264.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 115968095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).