tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate

C15H24N2O2 — CID 102449138

IUPACtert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
SMILESCC(C)CNc1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)10-16-12-8-6-7-9-13(12)17-14(18)19-15(3,4)5/h6-9,11,16H,10H2,1-5H3,(H,17,18)
InChIKeyYOCMXJZATSGVCZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.10
Rot. Bonds4

About tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate

tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate (PubChem CID 102449138) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
PubChem CID102449138
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
SMILESCC(C)CNc1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)10-16-12-8-6-7-9-13(12)17-14(18)19-15(3,4)5/h6-9,11,16H,10H2,1-5H3,(H,17,18)
InChIKeyYOCMXJZATSGVCZ-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
CID 95247758
tert-butyl N-[2-(1-aminopropan-2-yl)phenyl]carbamate
CID 84707260
tert-butyl N-(2-hydroxyphenyl)carbamate
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tert-butyl N-[2-[(propan-2-ylamino)methyl]phenyl]carbamate
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tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate
CID 107240279
tert-butyl N-(2-phenylsulfanylphenyl)carbamate
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tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
CID 107240333
tert-butyl N-[2-(prop-1-enylamino)phenyl]carbamate
CID 150343828
tert-butyl N-[2-[[(Z)-3-hydrazinylprop-2-enyl]amino]phenyl]carbamate
CID 139395252
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]butanoate
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tert-butyl N-(2-oxoazepin-3-yl)carbamate
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tert-butyl N-[2-[bromo(hydroxy)methyl]phenyl]carbamate
CID 172603488

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate (CID 102449138) is tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate is CC(C)CNc1ccccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate?
The InChIKey is YOCMXJZATSGVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)10-16-12-8-6-7-9-13(12)17-14(18)19-15(3,4)5/h6-9,11,16H,10H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate?
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate has a molecular weight of 264.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate is sourced from PubChem (CID 102449138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).