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

C17H28N2O — CID 81300764

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine
SMILESCCOCc1ccccc1CNC1CCN(C)C(C)C1
InChIInChI=1S/C17H28N2O/c1-4-20-13-16-8-6-5-7-15(16)12-18-17-9-10-19(3)14(2)11-17/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyDCCCBLGJJXYJAM-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.80
Rot. Bonds6

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

N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine (PubChem CID 81300764) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine
PubChem CID81300764
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine
SMILESCCOCc1ccccc1CNC1CCN(C)C(C)C1
InChIInChI=1S/C17H28N2O/c1-4-20-13-16-8-6-5-7-15(16)12-18-17-9-10-19(3)14(2)11-17/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKeyDCCCBLGJJXYJAM-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126
N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine
CID 60924202
1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine
CID 115708354
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 79032189
N-[[2-(methoxymethyl)phenyl]methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301779
N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
CID 54861796
4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790
N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81338197
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
4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol
CID 79032255

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine (CID 81300764) is N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine is CCOCc1ccccc1CNC1CCN(C)C(C)C1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine?
The InChIKey is DCCCBLGJJXYJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-20-13-16-8-6-5-7-15(16)12-18-17-9-10-19(3)14(2)11-17/h5-8,14,17-18H,4,9-13H2,1-3H3.
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine?
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 2.80, 6 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]-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 81300764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).