N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine

C18H29FN2 — CID 63060090

IUPACN-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCN(c2ccc(F)cc2CNC(C)(C)C)CC1
InChIInChI=1S/C18H29FN2/c1-5-14-8-10-21(11-9-14)17-7-6-16(19)12-15(17)13-20-18(2,3)4/h6-7,12,14,20H,5,8-11,13H2,1-4H3
InChIKeyYDXUWAATCNWDOT-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.34
Rot. Bonds4

About N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine

N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63060090) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
PubChem CID63060090
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCN(c2ccc(F)cc2CNC(C)(C)C)CC1
InChIInChI=1S/C18H29FN2/c1-5-14-8-10-21(11-9-14)17-7-6-16(19)12-15(17)13-20-18(2,3)4/h6-7,12,14,20H,5,8-11,13H2,1-4H3
InChIKeyYDXUWAATCNWDOT-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-[(tert-butylamino)methyl]-4-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 114798666
1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 113418178
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105385843
[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol
CID 114847855
N-[[5-fluoro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63059252
4-[2-[(tert-butylamino)methyl]-4-fluorophenyl]piperazin-2-one
CID 63059984
N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696527
N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43584751
N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512249
N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-5-fluorophenyl]methyl]ethanamine
CID 61445256
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114848840
2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 63059247

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine (CID 63060090) is N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine is CCC1CCN(c2ccc(F)cc2CNC(C)(C)C)CC1.
What is the InChIKey of N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is YDXUWAATCNWDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-14-8-10-21(11-9-14)17-7-6-16(19)12-15(17)13-20-18(2,3)4/h6-7,12,14,20H,5,8-11,13H2,1-4H3.
What are the key properties of N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 292.44 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63060090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).