N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine

C13H17ClN2 — CID 105363660

IUPACN-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESClc1cccc(NC2CCN3CCC2C3)c1
InChIInChI=1S/C13H17ClN2/c14-11-2-1-3-12(8-11)15-13-5-7-16-6-4-10(13)9-16/h1-3,8,10,13,15H,4-7,9H2
InChIKeyHOHTVPKLAFRQFU-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.85
Rot. Bonds2

About N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine

N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105363660) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105363660
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC NameN-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESClc1cccc(NC2CCN3CCC2C3)c1
InChIInChI=1S/C13H17ClN2/c14-11-2-1-3-12(8-11)15-13-5-7-16-6-4-10(13)9-16/h1-3,8,10,13,15H,4-7,9H2
InChIKeyHOHTVPKLAFRQFU-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364370
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-chlorophenyl)urea
CID 20787787
2-N-(1-azabicyclo[3.2.1]octan-4-yl)-4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine
CID 105364252
(1S)-2-(3-chloroanilino)cyclopentan-1-ol
CID 167050048
N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364394
N-(2-chloro-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364008
N-(3-chlorophenyl)-1-methylpiperidin-4-amine
CID 13336311
N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363663
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363940
N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364132
3-chloro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758672
N-[3-(1,2,4-triazol-4-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43692043

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105363660) is N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine is Clc1cccc(NC2CCN3CCC2C3)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is HOHTVPKLAFRQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-11-2-1-3-12(8-11)15-13-5-7-16-6-4-10(13)9-16/h1-3,8,10,13,15H,4-7,9H2.
What are the key properties of N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 236.75 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105363660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).