N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine

C15H21ClN2 — CID 54980827

IUPACN-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1N1CC2CCC1C2
InChIInChI=1S/C15H21ClN2/c1-2-17-9-13-14(16)4-3-5-15(13)18-10-11-6-7-12(18)8-11/h3-5,11-12,17H,2,6-10H2,1H3
InChIKeyYCTPOYQEMHZSPY-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.44
Rot. Bonds4

About N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine

N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine (PubChem CID 54980827) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine
PubChem CID54980827
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC NameN-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1N1CC2CCC1C2
InChIInChI=1S/C15H21ClN2/c1-2-17-9-13-14(16)4-3-5-15(13)18-10-11-6-7-12(18)8-11/h3-5,11-12,17H,2,6-10H2,1H3
InChIKeyYCTPOYQEMHZSPY-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 61445797
N-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-chlorophenyl]methyl]ethanamine
CID 102727329
N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]ethanamine
CID 62293603
N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 83055662
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[[1-(2-azabicyclo[2.2.1]heptan-2-yl)isoquinolin-4-yl]methyl]ethanamine
CID 106775701
N-[[2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 63635864
N-[[2-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 83220637
2-(3-chloro-2-nitrophenyl)-2-azabicyclo[2.2.1]heptane
CID 104838905
2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol
CID 84771208
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62753421
(E)-3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]prop-2-enoic acid
CID 109375834

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine (CID 54980827) is N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1N1CC2CCC1C2.
What is the InChIKey of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine?
The InChIKey is YCTPOYQEMHZSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-2-17-9-13-14(16)4-3-5-15(13)18-10-11-6-7-12(18)8-11/h3-5,11-12,17H,2,6-10H2,1H3.
What are the key properties of N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine?
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine has a molecular weight of 264.80 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine is sourced from PubChem (CID 54980827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).