1-[(2R)-2-azidopropyl]-2-methylbenzene

C10H13N3 — CID 154709566

IUPAC1-[(2R)-2-azidopropyl]-2-methylbenzene
SMILESCc1ccccc1C[C@@H](C)N=[N+]=[N-]
InChIInChI=1S/C10H13N3/c1-8-5-3-4-6-10(8)7-9(2)12-13-11/h3-6,9H,7H2,1-2H3/t9-/m1/s1
InChIKeySWBLBCDXBZSLBV-SECBINFHSA-N
MW175.23 g/mol
LogP3.24
Rot. Bonds3

About 1-[(2R)-2-azidopropyl]-2-methylbenzene

1-[(2R)-2-azidopropyl]-2-methylbenzene (PubChem CID 154709566) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-[(2R)-2-azidopropyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(2R)-2-azidopropyl]-2-methylbenzene
PubChem CID154709566
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name1-[(2R)-2-azidopropyl]-2-methylbenzene
SMILESCc1ccccc1C[C@@H](C)N=[N+]=[N-]
InChIInChI=1S/C10H13N3/c1-8-5-3-4-6-10(8)7-9(2)12-13-11/h3-6,9H,7H2,1-2H3/t9-/m1/s1
InChIKeySWBLBCDXBZSLBV-SECBINFHSA-N
XLogP3.24
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

CID 67672299
CID 67672299
1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene
CID 71270055
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
1-(2-chloro-4-methylpentyl)-2-methylbenzene
CID 63544752
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
1-[2-(chloromethyl)-3-methylbutyl]-2-methylbenzene
CID 66036572
(2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride
CID 42328007
N-ethyl-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 60818877
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
1-methyl-2-(2-methylbut-3-ynyl)benzene
CID 123657846
ethyl (2S)-2-methyl-3-(2-methylphenyl)propanoate
CID 125424870
N-methyl-1-(2-methylphenyl)butan-2-amine
CID 60820425

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-azidopropyl]-2-methylbenzene?
The IUPAC name of 1-[(2R)-2-azidopropyl]-2-methylbenzene (CID 154709566) is 1-[(2R)-2-azidopropyl]-2-methylbenzene.
What is the SMILES notation for 1-[(2R)-2-azidopropyl]-2-methylbenzene?
The canonical SMILES for 1-[(2R)-2-azidopropyl]-2-methylbenzene is Cc1ccccc1C[C@@H](C)N=[N+]=[N-].
What is the InChIKey of 1-[(2R)-2-azidopropyl]-2-methylbenzene?
The InChIKey is SWBLBCDXBZSLBV-SECBINFHSA-N. The full InChI is InChI=1S/C10H13N3/c1-8-5-3-4-6-10(8)7-9(2)12-13-11/h3-6,9H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-2-azidopropyl]-2-methylbenzene?
1-[(2R)-2-azidopropyl]-2-methylbenzene has a molecular weight of 175.23 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-azidopropyl]-2-methylbenzene is sourced from PubChem (CID 154709566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).