N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine

C17H27FN2 — CID 43584751

IUPACN-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
SMILESCCC1CCCN(c2ccc(F)cc2CNC(C)C)C1
InChIInChI=1S/C17H27FN2/c1-4-14-6-5-9-20(12-14)17-8-7-16(18)10-15(17)11-19-13(2)3/h7-8,10,13-14,19H,4-6,9,11-12H2,1-3H3
InChIKeyUKODTXJJVOZYQB-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.95
Rot. Bonds5

About N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine

N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine (PubChem CID 43584751) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
PubChem CID43584751
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
SMILESCCC1CCCN(c2ccc(F)cc2CNC(C)C)C1
InChIInChI=1S/C17H27FN2/c1-4-14-6-5-9-20(12-14)17-8-7-16(18)10-15(17)11-19-13(2)3/h7-8,10,13-14,19H,4-6,9,11-12H2,1-3H3
InChIKeyUKODTXJJVOZYQB-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-(3-ethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114848465
[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626558
1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 113418178
N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54886079
N-[[2-(3,5-dimethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313806
N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313933
N-[[5-fluoro-2-(1,4-thiazepan-4-yl)phenyl]methyl]propan-2-amine
CID 61419095
1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-4-methylpiperidin-4-ol
CID 81103994
1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 43584596
(1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 55188508
(E)-3-[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]prop-2-enoic acid
CID 43584816
4-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]-1,4-diazepan-2-one
CID 65366585

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine (CID 43584751) is N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine is CCC1CCCN(c2ccc(F)cc2CNC(C)C)C1.
What is the InChIKey of N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
The InChIKey is UKODTXJJVOZYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-14-6-5-9-20(12-14)17-8-7-16(18)10-15(17)11-19-13(2)3/h7-8,10,13-14,19H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine?
N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 43584751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).