1-(azidomethyl)-4-propan-2-yloxybenzene

C10H13N3O — CID 151785938

IUPAC1-(azidomethyl)-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(CN=[N+]=[N-])cc1
InChIInChI=1S/C10H13N3O/c1-8(2)14-10-5-3-9(4-6-10)7-12-13-11/h3-6,8H,7H2,1-2H3
InChIKeyRVPDEPMOTKZUSZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP3.28
Rot. Bonds4

About 1-(azidomethyl)-4-propan-2-yloxybenzene

1-(azidomethyl)-4-propan-2-yloxybenzene (PubChem CID 151785938) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(azidomethyl)-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-(azidomethyl)-4-propan-2-yloxybenzene
PubChem CID151785938
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(azidomethyl)-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(CN=[N+]=[N-])cc1
InChIInChI=1S/C10H13N3O/c1-8(2)14-10-5-3-9(4-6-10)7-12-13-11/h3-6,8H,7H2,1-2H3
InChIKeyRVPDEPMOTKZUSZ-UHFFFAOYSA-N
XLogP3.28
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2,2,4,4,6,6-hexakis[4-(azidomethyl)phenoxy]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 25149547
[4-(azidomethyl)phenoxy]-chloro-oxophosphanium
CID 118019518
1-(azidomethyl)-4-(chloromethyl)benzene
CID 102388598
1-(azidomethyl)-4-fluorobenzene
CID 11205864
1-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 111045350
1-(azidomethyl)-4-[(1-methoxycyclopropyl)methyl]benzene
CID 117109168
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
(4-propan-2-yloxyphenyl)methanesulfonamide
CID 115000801
1-(azidomethyl)-4-(2-azidopropan-2-yl)benzene
CID 132524710
(NZ)-N-[1-[4-(azidomethyl)phenyl]ethylidene]hydroxylamine
CID 59667984
4-(azidomethyl)benzaldehyde
CID 57444853

Frequently Asked Questions

What is the IUPAC name of 1-(azidomethyl)-4-propan-2-yloxybenzene?
The IUPAC name of 1-(azidomethyl)-4-propan-2-yloxybenzene (CID 151785938) is 1-(azidomethyl)-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-(azidomethyl)-4-propan-2-yloxybenzene?
The canonical SMILES for 1-(azidomethyl)-4-propan-2-yloxybenzene is CC(C)Oc1ccc(CN=[N+]=[N-])cc1.
What is the InChIKey of 1-(azidomethyl)-4-propan-2-yloxybenzene?
The InChIKey is RVPDEPMOTKZUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8(2)14-10-5-3-9(4-6-10)7-12-13-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(azidomethyl)-4-propan-2-yloxybenzene?
1-(azidomethyl)-4-propan-2-yloxybenzene has a molecular weight of 191.23 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azidomethyl)-4-propan-2-yloxybenzene is sourced from PubChem (CID 151785938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).