N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine

C17H26Cl2N2 — CID 63528020

IUPACN-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H26Cl2N2/c1-13(2)10-20-11-14-6-3-4-9-21(14)12-15-16(18)7-5-8-17(15)19/h5,7-8,13-14,20H,3-4,6,9-12H2,1-2H3
InChIKeyPYJNSXNQBOQXIV-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.59
Rot. Bonds6

About N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63528020) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID63528020
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC NameN-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H26Cl2N2/c1-13(2)10-20-11-14-6-3-4-9-21(14)12-15-16(18)7-5-8-17(15)19/h5,7-8,13-14,20H,3-4,6,9-12H2,1-2H3
InChIKeyPYJNSXNQBOQXIV-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63527672
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581436
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581616
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62592900
1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321883
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579834
N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 103038258
2-methyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579835
N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 105371975
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine (CID 63528020) is N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCCN1Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is PYJNSXNQBOQXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-13(2)10-20-11-14-6-3-4-9-21(14)12-15-16(18)7-5-8-17(15)19/h5,7-8,13-14,20H,3-4,6,9-12H2,1-2H3.
What are the key properties of N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 329.31 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63528020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).