tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate

C18H22N2O2 — CID 2756497

IUPACtert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc(CN)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-16-10-8-15(9-11-16)14-6-4-13(12-19)5-7-14/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKeyGKCVJEWXABJGFZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.16
Rot. Bonds3

About tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate

tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate (PubChem CID 2756497) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate
PubChem CID2756497
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Nametert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc(CN)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-16-10-8-15(9-11-16)14-6-4-13(12-19)5-7-14/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKeyGKCVJEWXABJGFZ-UHFFFAOYSA-N
XLogP4.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate (CID 2756497) is tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2ccc(CN)cc2)cc1.
What is the InChIKey of tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate?
The InChIKey is GKCVJEWXABJGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-16-10-8-15(9-11-16)14-6-4-13(12-19)5-7-14/h4-11H,12,19H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate?
tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate has a molecular weight of 298.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate is sourced from PubChem (CID 2756497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).