N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine

C17H28N2 — CID 55067398

IUPACN-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCCc1ccccc1CNC(C)CN1CCCCC1
InChIInChI=1S/C17H28N2/c1-3-16-9-5-6-10-17(16)13-18-15(2)14-19-11-7-4-8-12-19/h5-6,9-10,15,18H,3-4,7-8,11-14H2,1-2H3
InChIKeyAZDSXDBLMCLQCU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds6

About N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine

N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 55067398) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID55067398
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCCc1ccccc1CNC(C)CN1CCCCC1
InChIInChI=1S/C17H28N2/c1-3-16-9-5-6-10-17(16)13-18-15(2)14-19-11-7-4-8-12-19/h5-6,9-10,15,18H,3-4,7-8,11-14H2,1-2H3
InChIKeyAZDSXDBLMCLQCU-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43791734
1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 43435870
N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938186
N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80701226
N-[(2-fluoro-3-nitrophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107349047
(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 51683369
2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62392311
N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 113408558
N-(furan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
CID 43749052
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906
N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938184

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine (CID 55067398) is N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine is CCc1ccccc1CNC(C)CN1CCCCC1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is AZDSXDBLMCLQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-16-9-5-6-10-17(16)13-18-15(2)14-19-11-7-4-8-12-19/h5-6,9-10,15,18H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 55067398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).