N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine

C17H28N2O — CID 60924202

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine
SMILESCCOCc1ccccc1CNC1CCN(CC)CC1
InChIInChI=1S/C17H28N2O/c1-3-19-11-9-17(10-12-19)18-13-15-7-5-6-8-16(15)14-20-4-2/h5-8,17-18H,3-4,9-14H2,1-2H3
InChIKeyCYAASFPSHZIWQS-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.80
Rot. Bonds7

About N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine

N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine (PubChem CID 60924202) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine
PubChem CID60924202
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine
SMILESCCOCc1ccccc1CNC1CCN(CC)CC1
InChIInChI=1S/C17H28N2O/c1-3-19-11-9-17(10-12-19)18-13-15-7-5-6-8-16(15)14-20-4-2/h5-8,17-18H,3-4,9-14H2,1-2H3
InChIKeyCYAASFPSHZIWQS-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
CID 54861796
4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81300764
1-ethyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
CID 60657910
N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine
CID 62871996
N-[[2-(ethoxymethyl)phenyl]methyl]-1,1-dioxothiolan-3-amine
CID 54861845
N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60924538
1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine
CID 115708354
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[2-(ethoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931357
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-[[2-(ethoxymethyl)phenyl]methyl]urea
CID 55629625
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine (CID 60924202) is N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine is CCOCc1ccccc1CNC1CCN(CC)CC1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine?
The InChIKey is CYAASFPSHZIWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19-11-9-17(10-12-19)18-13-15-7-5-6-8-16(15)14-20-4-2/h5-8,17-18H,3-4,9-14H2,1-2H3.
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine?
N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 60924202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).