tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate

C18H22N2O2 — CID 59206790

IUPACtert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2ccc(CN)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-16-6-4-5-15(11-16)14-9-7-13(12-19)8-10-14/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKeyPERZWCOROMQKRR-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.16
Rot. Bonds3

About tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate

tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate (PubChem CID 59206790) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate
PubChem CID59206790
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Nametert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(-c2ccc(CN)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-16-6-4-5-15(11-16)14-9-7-13(12-19)8-10-14/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKeyPERZWCOROMQKRR-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

4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53218486
[3-[4-(aminomethyl)phenyl]phenyl]urea
CID 141415129
tert-butyl N-[3-(3-fluoro-4-hydroxyphenyl)phenyl]carbamate
CID 53219774
tert-butyl N-(3-thiophen-3-ylphenyl)carbamate
CID 7176355
tert-butyl N-[4-(aminomethyl)-2,6-dideuteriophenyl]carbamate
CID 132507033
tert-butyl N-[3-(carbamoyloxymethyl)phenyl]carbamate
CID 174964106
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
CID 110282100
potassium trifluoro-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]boranuide
CID 171374143
tert-butyl N-[3-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate
CID 53219777
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
tert-butyl N-[N-[3-(aminomethyl)phenyl]-N'-ethylcarbamimidoyl]carbamate
CID 140982009

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate (CID 59206790) is tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(-c2ccc(CN)cc2)c1.
What is the InChIKey of tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate?
The InChIKey is PERZWCOROMQKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-16-6-4-5-15(11-16)14-9-7-13(12-19)8-10-14/h4-11H,12,19H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[3-[4-(aminomethyl)phenyl]phenyl]carbamate?
tert-butyl N-[3-[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-[3-[4-(aminomethyl)phenyl]phenyl]carbamate is sourced from PubChem (CID 59206790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).