2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine

C17H28N2 — CID 63059247

IUPAC2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1CCN(c2ccccc2CNC(C)(C)C)CC1
InChIInChI=1S/C17H28N2/c1-14-9-11-19(12-10-14)16-8-6-5-7-15(16)13-18-17(2,3)4/h5-8,14,18H,9-13H2,1-4H3
InChIKeyRTXWDOJRAMTEGC-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.81
Rot. Bonds3

About 2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine

2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 63059247) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID63059247
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC1CCN(c2ccccc2CNC(C)(C)C)CC1
InChIInChI=1S/C17H28N2/c1-14-9-11-19(12-10-14)16-8-6-5-7-15(16)13-18-17(2,3)4/h5-8,14,18H,9-13H2,1-4H3
InChIKeyRTXWDOJRAMTEGC-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(tert-butylamino)methyl]phenyl]-4-methylpiperidin-3-ol
CID 102960800
2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246270
N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058978
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62284718
1-(difluoromethyl)-5-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]pyrazole-4-sulfonamide
CID 19614992
2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64748080
2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine
CID 115621683
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 64579981
N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060090
2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 61220361
N-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62413529

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine (CID 63059247) is 2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine is CC1CCN(c2ccccc2CNC(C)(C)C)CC1.
What is the InChIKey of 2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is RTXWDOJRAMTEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-9-11-19(12-10-14)16-8-6-5-7-15(16)13-18-17(2,3)4/h5-8,14,18H,9-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63059247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).