tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate

C15H22N2O2 — CID 107247266

IUPACtert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1NC1CC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)16-10-11-6-4-5-7-13(11)17-12-8-9-12/h4-7,12,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyVDHCPSFZTWFRMA-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.29
Rot. Bonds4

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

tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate (PubChem CID 107247266) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate
PubChem CID107247266
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1NC1CC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)16-10-11-6-4-5-7-13(11)17-12-8-9-12/h4-7,12,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyVDHCPSFZTWFRMA-UHFFFAOYSA-N
XLogP3.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate
CID 107247276
tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
CID 107248664
tert-butyl N-[[2-(prop-2-ynylamino)phenyl]methyl]carbamate
CID 107247229
tert-butyl N-[[2-(heptylamino)phenyl]methyl]carbamate
CID 107247253
tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate
CID 103698918
tert-butyl N-[[2-[(azetidin-3-ylamino)methyl]phenyl]methyl]carbamate
CID 107248667
tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate
CID 107247162
tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate
CID 107247163
tert-butyl N-[[2-(prop-2-enylamino)phenyl]methyl]carbamate
CID 101342839
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
CID 90064993
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate (CID 107247266) is tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccccc1NC1CC1.
What is the InChIKey of tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate?
The InChIKey is VDHCPSFZTWFRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)16-10-11-6-4-5-7-13(11)17-12-8-9-12/h4-7,12,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate?
tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.29, 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-(cyclopropylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 107247266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).