[(1S)-1-(3-methylphenyl)ethyl]azanium chloride

C9H14ClN — CID 155931226

IUPAC[(1S)-1-(3-methylphenyl)ethyl]azanium chloride
SMILESCc1cccc([C@H](C)[NH3+])c1.[Cl-]
InChIInChI=1S/C9H13N.ClH/c1-7-4-3-5-9(6-7)8(2)10;/h3-6,8H,10H2,1-2H3;1H/t8-;/m0./s1
InChIKeyUGZRFRLOFJGHSK-QRPNPIFTSA-N
MW171.67 g/mol
LogP-1.70
Rot. Bonds1

About [(1S)-1-(3-methylphenyl)ethyl]azanium chloride

[(1S)-1-(3-methylphenyl)ethyl]azanium chloride (PubChem CID 155931226) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is [(1S)-1-(3-methylphenyl)ethyl]azanium chloride.

Molecular Properties

Compound Name[(1S)-1-(3-methylphenyl)ethyl]azanium chloride
PubChem CID155931226
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Name[(1S)-1-(3-methylphenyl)ethyl]azanium chloride
SMILESCc1cccc([C@H](C)[NH3+])c1.[Cl-]
InChIInChI=1S/C9H13N.ClH/c1-7-4-3-5-9(6-7)8(2)10;/h3-6,8H,10H2,1-2H3;1H/t8-;/m0./s1
InChIKeyUGZRFRLOFJGHSK-QRPNPIFTSA-N
XLogP-1.70
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-3-propan-2-ylbenzene
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1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
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1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
CID 142381961
CID 142381961
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
ethane;bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene)
CID 158672688
CID 156724864
CID 156724864
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
1-(1-hydroperoxyethyl)-3-methylbenzene
CID 131858292
(1R,2R)-1-(3-methylphenyl)propane-1,2-diol
CID 134966873
1-(1-bromo-3-methylbutan-2-yl)-3-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-methylphenyl)ethyl]azanium chloride?
The IUPAC name of [(1S)-1-(3-methylphenyl)ethyl]azanium chloride (CID 155931226) is [(1S)-1-(3-methylphenyl)ethyl]azanium chloride.
What is the SMILES notation for [(1S)-1-(3-methylphenyl)ethyl]azanium chloride?
The canonical SMILES for [(1S)-1-(3-methylphenyl)ethyl]azanium chloride is Cc1cccc([C@H](C)[NH3+])c1.[Cl-].
What is the InChIKey of [(1S)-1-(3-methylphenyl)ethyl]azanium chloride?
The InChIKey is UGZRFRLOFJGHSK-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H13N.ClH/c1-7-4-3-5-9(6-7)8(2)10;/h3-6,8H,10H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of [(1S)-1-(3-methylphenyl)ethyl]azanium chloride?
[(1S)-1-(3-methylphenyl)ethyl]azanium chloride has a molecular weight of 171.67 g/mol, XLogP of -1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-methylphenyl)ethyl]azanium chloride is sourced from PubChem (CID 155931226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).