tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate

C20H26N2O2 — CID 66616766

IUPACtert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(CNCc2ccccc2)c1
InChIInChI=1S/C20H26N2O2/c1-20(2,3)24-19(23)22-15-18-11-7-10-17(12-18)14-21-13-16-8-5-4-6-9-16/h4-12,21H,13-15H2,1-3H3,(H,22,23)
InChIKeyRSLRKQDJDOEUBI-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.00
Rot. Bonds6

About tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate

tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate (PubChem CID 66616766) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
PubChem CID66616766
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Nametert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(CNCc2ccccc2)c1
InChIInChI=1S/C20H26N2O2/c1-20(2,3)24-19(23)22-15-18-11-7-10-17(12-18)14-21-13-16-8-5-4-6-9-16/h4-12,21H,13-15H2,1-3H3,(H,22,23)
InChIKeyRSLRKQDJDOEUBI-UHFFFAOYSA-N
XLogP4.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525
tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 21018889
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate
CID 174196710
tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
tert-butyl N-[[3-(methylsulfanyloxymethyl)phenyl]methyl]carbamate
CID 129045870
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl N-methylcarbamate
CID 23548893
benzyl 4-[[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]piperazine-1-carboxylate
CID 22229204
tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate
CID 58911434
tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
CID 110282100
tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate
CID 107244699
3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]benzoic acid
CID 146187594

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate (CID 66616766) is tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(CNCc2ccccc2)c1.
What is the InChIKey of tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate?
The InChIKey is RSLRKQDJDOEUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-20(2,3)24-19(23)22-15-18-11-7-10-17(12-18)14-21-13-16-8-5-4-6-9-16/h4-12,21H,13-15H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate?
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate has a molecular weight of 326.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 66616766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).