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

C19H32N2 — CID 62432875

IUPACN-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCN(Cc2ccccc2CNC(C)(C)C)C1
InChIInChI=1S/C19H32N2/c1-5-16-9-8-12-21(14-16)15-18-11-7-6-10-17(18)13-20-19(2,3)4/h6-7,10-11,16,20H,5,8-9,12-15H2,1-4H3
InChIKeyGDULLURJLQIKMU-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.20
Rot. Bonds5

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

N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 62432875) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID62432875
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCN(Cc2ccccc2CNC(C)(C)C)C1
InChIInChI=1S/C19H32N2/c1-5-16-9-8-12-21(14-16)15-18-11-7-6-10-17(18)13-20-19(2,3)4/h6-7,10-11,16,20H,5,8-9,12-15H2,1-4H3
InChIKeyGDULLURJLQIKMU-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058978
N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905911
2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine
CID 115463747
2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823
2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol
CID 112616106
N-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62413529
2-[2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465290
2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465497
N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 60851535
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
N-[2-(3-ethylpiperidin-1-yl)ethyl]aniline
CID 60860775
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (CID 62432875) is N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is CCC1CCCN(Cc2ccccc2CNC(C)(C)C)C1.
What is the InChIKey of N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is GDULLURJLQIKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-16-9-8-12-21(14-16)15-18-11-7-6-10-17(18)13-20-19(2,3)4/h6-7,10-11,16,20H,5,8-9,12-15H2,1-4H3.
What are the key properties of N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.20, 5 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)methyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62432875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).