[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine

C13H17ClN2 — CID 63087172

IUPAC[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine
SMILESNCc1ccc(N2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C13H17ClN2/c14-12-6-9(7-15)2-4-13(12)16-8-10-1-3-11(16)5-10/h2,4,6,10-11H,1,3,5,7-8,15H2
InChIKeyVQECOMSLXNFSIX-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.79
Rot. Bonds2

About [4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine

[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine (PubChem CID 63087172) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is [4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine.

Molecular Properties

Compound Name[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine
PubChem CID63087172
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine
SMILESNCc1ccc(N2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C13H17ClN2/c14-12-6-9(7-15)2-4-13(12)16-8-10-1-3-11(16)5-10/h2,4,6,10-11H,1,3,5,7-8,15H2
InChIKeyVQECOMSLXNFSIX-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine
CID 55031754
2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine
CID 63787034
[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine
CID 63089006
[3-chloro-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methanamine
CID 79941249
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine
CID 54980972
N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 62122940
[4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine
CID 63088019
[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine
CID 55165060
N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63071669
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chlorophenyl]methyl]ethanamine
CID 54980827
2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol
CID 84771208
1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine
CID 114061955

Frequently Asked Questions

What is the IUPAC name of [4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine?
The IUPAC name of [4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine (CID 63087172) is [4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine.
What is the SMILES notation for [4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine?
The canonical SMILES for [4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine is NCc1ccc(N2CC3CCC2C3)c(Cl)c1.
What is the InChIKey of [4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine?
The InChIKey is VQECOMSLXNFSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-12-6-9(7-15)2-4-13(12)16-8-10-1-3-11(16)5-10/h2,4,6,10-11H,1,3,5,7-8,15H2.
What are the key properties of [4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine?
[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine has a molecular weight of 236.75 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chlorophenyl]methanamine is sourced from PubChem (CID 63087172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).