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

C18H30N2O — CID 60873909

IUPACN-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
SMILESCCOc1cccc(CNC(C)C2CCN(CC)CC2)c1
InChIInChI=1S/C18H30N2O/c1-4-20-11-9-17(10-12-20)15(3)19-14-16-7-6-8-18(13-16)21-5-2/h6-8,13,15,17,19H,4-5,9-12,14H2,1-3H3
InChIKeyNEMUUKMKEJUHBK-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.30
Rot. Bonds7

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

N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine (PubChem CID 60873909) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
PubChem CID60873909
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
SMILESCCOc1cccc(CNC(C)C2CCN(CC)CC2)c1
InChIInChI=1S/C18H30N2O/c1-4-20-11-9-17(10-12-20)15(3)19-14-16-7-6-8-18(13-16)21-5-2/h6-8,13,15,17,19H,4-5,9-12,14H2,1-3H3
InChIKeyNEMUUKMKEJUHBK-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 60873726
(1S)-1-cyclopentyl-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81386219
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60873140
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43308024
(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81387045
(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81390243
(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81390552
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778
(1R)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81392096
N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 54937659

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine (CID 60873909) is N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine is CCOc1cccc(CNC(C)C2CCN(CC)CC2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
The InChIKey is NEMUUKMKEJUHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-20-11-9-17(10-12-20)15(3)19-14-16-7-6-8-18(13-16)21-5-2/h6-8,13,15,17,19H,4-5,9-12,14H2,1-3H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine?
N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.30, 7 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-ethylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 60873909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).