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

C19H24N2O2 — CID 110282100

IUPACtert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2cccc(CN)c2)c1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)23-18(22)21-13-15-7-5-9-17(11-15)16-8-4-6-14(10-16)12-20/h4-11H,12-13,20H2,1-3H3,(H,21,22)
InChIKeyZJSHRYNHCHUIBJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.84
Rot. Bonds4

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

tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate (PubChem CID 110282100) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
PubChem CID110282100
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Nametert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2cccc(CN)c2)c1
InChIInChI=1S/C19H24N2O2/c1-19(2,3)23-18(22)21-13-15-7-5-9-17(11-15)16-8-4-6-14(10-16)12-20/h4-11H,12-13,20H2,1-3H3,(H,21,22)
InChIKeyZJSHRYNHCHUIBJ-UHFFFAOYSA-N
XLogP3.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate
CID 58911434
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tert-butyl N-[[3-(2,2-difluoroethenyl)phenyl]methyl]carbamate;[3-(2,2-difluoroethenyl)phenyl]methanamine
CID 175940431
tert-butyl N-[[3-(aminomethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[[2-(dimethylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]phenyl]methyl]carbamate
CID 158824393
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
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[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl N-methylcarbamate
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tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate
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tert-butyl N-[2-[[3-[4-(aminomethyl)phenyl]phenyl]methyl-methylamino]-2-oxoethyl]carbamate
CID 70570674
2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid
CID 171364727
tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 21018889
tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate
CID 167192366
ethyl 2-methyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoate
CID 58009613

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate (CID 110282100) is tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(-c2cccc(CN)c2)c1.
What is the InChIKey of tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate?
The InChIKey is ZJSHRYNHCHUIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,3)23-18(22)21-13-15-7-5-9-17(11-15)16-8-4-6-14(10-16)12-20/h4-11H,12-13,20H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate?
tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate has a molecular weight of 312.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate is sourced from PubChem (CID 110282100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).