N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine

C17H28N2O — CID 60873726

IUPACN-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCCOc1cccc(CNC(C)C2CCN(C)CC2)c1
InChIInChI=1S/C17H28N2O/c1-4-20-17-7-5-6-15(12-17)13-18-14(2)16-8-10-19(3)11-9-16/h5-7,12,14,16,18H,4,8-11,13H2,1-3H3
InChIKeyQFNOUTNXUOMOPM-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.91
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine

N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 60873726) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
PubChem CID60873726
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCCOc1cccc(CNC(C)C2CCN(C)CC2)c1
InChIInChI=1S/C17H28N2O/c1-4-20-17-7-5-6-15(12-17)13-18-14(2)16-8-10-19(3)11-9-16/h5-7,12,14,16,18H,4,8-11,13H2,1-3H3
InChIKeyQFNOUTNXUOMOPM-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 60873909
(1S)-1-cyclopentyl-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81386219
N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
CID 65070534
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60873140
3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 43664751
(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 93283678
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 103779601
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778
(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81390552
(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81390243

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine (CID 60873726) is N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine is CCOc1cccc(CNC(C)C2CCN(C)CC2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is QFNOUTNXUOMOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-20-17-7-5-6-15(12-17)13-18-14(2)16-8-10-19(3)11-9-16/h5-7,12,14,16,18H,4,8-11,13H2,1-3H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 60873726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).