tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate

C15H24N2O2 — CID 117110963

IUPACtert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate
SMILESCc1cc(C(C)N)cc(NC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C15H24N2O2/c1-9-7-12(11(3)16)8-13(10(9)2)17-14(18)19-15(4,5)6/h7-8,11H,16H2,1-6H3,(H,17,18)
InChIKeySWBWGUASEMPNFM-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.67
Rot. Bonds2

About tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate

tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate (PubChem CID 117110963) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate
PubChem CID117110963
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate
SMILESCc1cc(C(C)N)cc(NC(=O)OC(C)(C)C)c1C
InChIInChI=1S/C15H24N2O2/c1-9-7-12(11(3)16)8-13(10(9)2)17-14(18)19-15(4,5)6/h7-8,11H,16H2,1-6H3,(H,17,18)
InChIKeySWBWGUASEMPNFM-UHFFFAOYSA-N
XLogP3.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(5-acetyl-2,3-dimethylphenyl)carbamate
CID 117112095
tert-butyl N-[5-(hydroxymethyl)-2,3-dimethylphenyl]carbamate
CID 117115769
tert-butyl N-[5-(2-aminoacetyl)-2,3-dimethylphenyl]carbamate
CID 117115554
tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate
CID 115113575
tert-butyl N-(4-hydroxy-2,3,5-trimethylphenyl)carbamate
CID 22048539
tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
CID 172639114
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
tert-butyl N-[3-[(1R)-1-aminoethyl]-5-(1,1-difluoro-2-hydroxy-2-methylpropyl)phenyl]carbamate
CID 170910729
tert-butyl N-(3-formyl-2-hydroxy-5-propan-2-ylphenyl)carbamate
CID 84811583
tert-butyl N-(4-hydroxy-2,5-dimethylphenyl)carbamate
CID 10609921

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate?
The IUPAC name of tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate (CID 117110963) is tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate is Cc1cc(C(C)N)cc(NC(=O)OC(C)(C)C)c1C.
What is the InChIKey of tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate?
The InChIKey is SWBWGUASEMPNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-9-7-12(11(3)16)8-13(10(9)2)17-14(18)19-15(4,5)6/h7-8,11H,16H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate?
tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate has a molecular weight of 264.37 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate is sourced from PubChem (CID 117110963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).