[1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate

C14H23N3O2 — CID 151856415

IUPAC[1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate
SMILESCc1cc(N)c(CC(C)(C)OC(N)=O)cc1N(C)C
InChIInChI=1S/C14H23N3O2/c1-9-6-11(15)10(7-12(9)17(4)5)8-14(2,3)19-13(16)18/h6-7H,8,15H2,1-5H3,(H2,16,18)
InChIKeySJTWVQHMPNJGKI-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.06
Rot. Bonds4

About [1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate

[1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 151856415) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate
PubChem CID151856415
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate
SMILESCc1cc(N)c(CC(C)(C)OC(N)=O)cc1N(C)C
InChIInChI=1S/C14H23N3O2/c1-9-6-11(15)10(7-12(9)17(4)5)8-14(2,3)19-13(16)18/h6-7H,8,15H2,1-5H3,(H2,16,18)
InChIKeySJTWVQHMPNJGKI-UHFFFAOYSA-N
XLogP2.06
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate (CID 151856415) is [1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate is Cc1cc(N)c(CC(C)(C)OC(N)=O)cc1N(C)C.
What is the InChIKey of [1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is SJTWVQHMPNJGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-6-11(15)10(7-12(9)17(4)5)8-14(2,3)19-13(16)18/h6-7H,8,15H2,1-5H3,(H2,16,18).
What are the key properties of [1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate?
[1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 265.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-5-(dimethylamino)-4-methylphenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 151856415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).