tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate

C16H26N2O2 — CID 115113575

IUPACtert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate
SMILESCc1ccc(C(C)CCN)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-11(8-9-17)13-7-6-12(2)14(10-13)18-15(19)20-16(3,4)5/h6-7,10-11H,8-9,17H2,1-5H3,(H,18,19)
InChIKeyGWMBGVQINAVVDV-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.79
Rot. Bonds4

About tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate

tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate (PubChem CID 115113575) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate
PubChem CID115113575
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nametert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate
SMILESCc1ccc(C(C)CCN)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-11(8-9-17)13-7-6-12(2)14(10-13)18-15(19)20-16(3,4)5/h6-7,10-11H,8-9,17H2,1-5H3,(H,18,19)
InChIKeyGWMBGVQINAVVDV-UHFFFAOYSA-N
XLogP3.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[5-(1-aminopropan-2-yl)-2-hydroxyphenyl]carbamate
CID 84711662
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
tert-butyl N-[2-methyl-5-(1-piperazin-1-ylethyl)phenyl]carbamate
CID 117109375
tert-butyl N-butyl-N-[1-[4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl]carbamate
CID 102569881
tert-butyl N-[5-(1-aminoethyl)-2,3-dimethylphenyl]carbamate
CID 117110963
tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
CID 69096726
tert-butyl N-[2-chloro-5-(4-oxobutan-2-yl)phenyl]carbamate
CID 117107577
tert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate
CID 117113193
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate
CID 115004244
tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate
CID 84707260

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate?
The IUPAC name of tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate (CID 115113575) is tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate is Cc1ccc(C(C)CCN)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate?
The InChIKey is GWMBGVQINAVVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(8-9-17)13-7-6-12(2)14(10-13)18-15(19)20-16(3,4)5/h6-7,10-11H,8-9,17H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate?
tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate has a molecular weight of 278.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate is sourced from PubChem (CID 115113575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).