[(2R)-1-(4-chlorophenyl)propan-2-yl]azanium

C9H13ClN+ — CID 6927062

IUPAC[(2R)-1-(4-chlorophenyl)propan-2-yl]azanium
SMILESC[C@@H]([NH3+])Cc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3/p+1/t7-/m1/s1
InChIKeyWWPITPSIWMXDPE-SSDOTTSWSA-O
MW170.66 g/mol
LogP1.51
Rot. Bonds2

About [(2R)-1-(4-chlorophenyl)propan-2-yl]azanium

[(2R)-1-(4-chlorophenyl)propan-2-yl]azanium (PubChem CID 6927062) has the molecular formula C9H13ClN+ and a molecular weight of 170.66 g/mol. Its IUPAC name is [(2R)-1-(4-chlorophenyl)propan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-(4-chlorophenyl)propan-2-yl]azanium
PubChem CID6927062
Molecular FormulaC9H13ClN+
Molecular Weight170.66 g/mol
Exact Mass170.07
IUPAC Name[(2R)-1-(4-chlorophenyl)propan-2-yl]azanium
SMILESC[C@@H]([NH3+])Cc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3/p+1/t7-/m1/s1
InChIKeyWWPITPSIWMXDPE-SSDOTTSWSA-O
XLogP1.51
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.66
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-chlorophenyl)propan-2-amine
CID 3127
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128
1-chloro-4-(2-methylbut-3-enyl)benzene
CID 83931184
1-chloro-4-(2-nitrosopropyl)benzene
CID 134994118
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 105454010
1-(2-bromo-3-methylpentyl)-4-chlorobenzene
CID 63543295
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-chlorophenyl)propan-2-yl]azanium?
The IUPAC name of [(2R)-1-(4-chlorophenyl)propan-2-yl]azanium (CID 6927062) is [(2R)-1-(4-chlorophenyl)propan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-(4-chlorophenyl)propan-2-yl]azanium?
The canonical SMILES for [(2R)-1-(4-chlorophenyl)propan-2-yl]azanium is C[C@@H]([NH3+])Cc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-(4-chlorophenyl)propan-2-yl]azanium?
The InChIKey is WWPITPSIWMXDPE-SSDOTTSWSA-O. The full InChI is InChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3/p+1/t7-/m1/s1.
What are the key properties of [(2R)-1-(4-chlorophenyl)propan-2-yl]azanium?
[(2R)-1-(4-chlorophenyl)propan-2-yl]azanium has a molecular weight of 170.66 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-chlorophenyl)propan-2-yl]azanium is sourced from PubChem (CID 6927062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).