N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine

C18H30N2 — CID 63058978

IUPACN-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCN(c2ccccc2CNC(C)(C)C)C1
InChIInChI=1S/C18H30N2/c1-5-15-9-8-12-20(14-15)17-11-7-6-10-16(17)13-19-18(2,3)4/h6-7,10-11,15,19H,5,8-9,12-14H2,1-4H3
InChIKeyRMYJAWRGBSFIRW-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.20
Rot. Bonds4

About N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine

N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63058978) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63058978
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCN(c2ccccc2CNC(C)(C)C)C1
InChIInChI=1S/C18H30N2/c1-5-15-9-8-12-20(14-15)17-11-7-6-10-16(17)13-19-18(2,3)4/h6-7,10-11,15,19H,5,8-9,12-14H2,1-4H3
InChIKeyRMYJAWRGBSFIRW-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62432875
N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059153
1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol
CID 102960800
2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 63059247
[1-[2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590495
N-[[5-(3-ethylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107379243
[1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol
CID 63060772
2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine
CID 115621683
1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678826
N-[[5-(3-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106969286
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]-N-methylmethanamine
CID 63150727
N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905911

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine (CID 63058978) is N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine is CCC1CCCN(c2ccccc2CNC(C)(C)C)C1.
What is the InChIKey of N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is RMYJAWRGBSFIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-15-9-8-12-20(14-15)17-11-7-6-10-16(17)13-19-18(2,3)4/h6-7,10-11,15,19H,5,8-9,12-14H2,1-4H3.
What are the key properties of N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63058978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).