1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine

C17H28N2 — CID 112677835

IUPAC1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1N1CCCCC1CC
InChIInChI=1S/C17H28N2/c1-4-14-10-8-9-13-19(14)17-12-7-6-11-15(17)16(5-2)18-3/h6-7,11-12,14,16,18H,4-5,8-10,13H2,1-3H3
InChIKeyVVEYJARDNBXXCF-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.13
Rot. Bonds5

About 1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine

1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine (PubChem CID 112677835) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
PubChem CID112677835
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1N1CCCCC1CC
InChIInChI=1S/C17H28N2/c1-4-14-10-8-9-13-19(14)17-12-7-6-11-15(17)16(5-2)18-3/h6-7,11-12,14,16,18H,4-5,8-10,13H2,1-3H3
InChIKeyVVEYJARDNBXXCF-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine
CID 102726801
(1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol
CID 104690574
(1R)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103958582
(1R)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanol
CID 78939880
(1S)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanol
CID 63370962
N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 104690764
[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934
1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine
CID 115994813
[1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol
CID 112677818
1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine
CID 114055804
3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one
CID 112678132
1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]-N-methylethanamine
CID 104690188

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine (CID 112677835) is 1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1N1CCCCC1CC.
What is the InChIKey of 1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine?
The InChIKey is VVEYJARDNBXXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-14-10-8-9-13-19(14)17-12-7-6-11-15(17)16(5-2)18-3/h6-7,11-12,14,16,18H,4-5,8-10,13H2,1-3H3.
What are the key properties of 1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine?
1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 112677835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).