N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine

C17H27ClN2 — CID 83055662

IUPACN-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCCC1CCCCN1c1cccc(Cl)c1CNCC
InChIInChI=1S/C17H27ClN2/c1-3-8-14-9-5-6-12-20(14)17-11-7-10-16(18)15(17)13-19-4-2/h7,10-11,14,19H,3-6,8-9,12-13H2,1-2H3
InChIKeyGKOOTQKDJHGDSJ-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.61
Rot. Bonds6

About N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine

N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 83055662) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine
PubChem CID83055662
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCCC1CCCCN1c1cccc(Cl)c1CNCC
InChIInChI=1S/C17H27ClN2/c1-3-8-14-9-5-6-12-20(14)17-11-7-10-16(18)15(17)13-19-4-2/h7,10-11,14,19H,3-6,8-9,12-13H2,1-2H3
InChIKeyGKOOTQKDJHGDSJ-UHFFFAOYSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-(2-ethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 104690803
N-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-chlorophenyl]methyl]ethanamine
CID 102727329
N-[[2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]phenyl]methyl]propan-1-amine
CID 62888458
N-[[3-chloro-6-(2-propylpiperidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 83061614
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine
CID 54980827
N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 63550854
N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 61445797
1-[2-(bromomethyl)-3-chlorophenyl]-2-ethylpyrrolidine
CID 107080748
N-[[2-fluoro-6-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114065587
N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 83220637
N-[[6-methyl-4-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 83061461
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-chlorophenyl]-N-methylmethanamine
CID 102727313

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine (CID 83055662) is N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine is CCCC1CCCCN1c1cccc(Cl)c1CNCC.
What is the InChIKey of N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is GKOOTQKDJHGDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-3-8-14-9-5-6-12-20(14)17-11-7-10-16(18)15(17)13-19-4-2/h7,10-11,14,19H,3-6,8-9,12-13H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine?
N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 294.87 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 83055662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).