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

C18H30N2O — CID 43734733

IUPACN-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCCOc1ccc(C(C)NC(C)C2CCCN(C)C2)cc1
InChIInChI=1S/C18H30N2O/c1-5-21-18-10-8-16(9-11-18)14(2)19-15(3)17-7-6-12-20(4)13-17/h8-11,14-15,17,19H,5-7,12-13H2,1-4H3
InChIKeyHJEKAPGLLGYMEL-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.47
Rot. Bonds6

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

N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine (PubChem CID 43734733) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
PubChem CID43734733
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCCOc1ccc(C(C)NC(C)C2CCCN(C)C2)cc1
InChIInChI=1S/C18H30N2O/c1-5-21-18-10-8-16(9-11-18)14(2)19-15(3)17-7-6-12-20(4)13-17/h8-11,14-15,17,19H,5-7,12-13H2,1-4H3
InChIKeyHJEKAPGLLGYMEL-UHFFFAOYSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-1-methylazepan-4-amine
CID 65070030
4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile
CID 43692380
3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 54865598
N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81360507
N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308252
1-(4-chlorophenyl)-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
CID 43688616
3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
CID 43748459
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 81371064
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81380093
1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64918622
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine (CID 43734733) is N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine is CCOc1ccc(C(C)NC(C)C2CCCN(C)C2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The InChIKey is HJEKAPGLLGYMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-21-18-10-8-16(9-11-18)14(2)19-15(3)17-7-6-12-20(4)13-17/h8-11,14-15,17,19H,5-7,12-13H2,1-4H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 43734733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).