[2-(aminomethyl)phenyl] N-tert-butylcarbamate

C12H18N2O2 — CID 141322688

IUPAC[2-(aminomethyl)phenyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccccc1CN
InChIInChI=1S/C12H18N2O2/c1-12(2,3)14-11(15)16-10-7-5-4-6-9(10)8-13/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyDPDOIKAQJXSCCH-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.03
Rot. Bonds2

About [2-(aminomethyl)phenyl] N-tert-butylcarbamate

[2-(aminomethyl)phenyl] N-tert-butylcarbamate (PubChem CID 141322688) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [2-(aminomethyl)phenyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-(aminomethyl)phenyl] N-tert-butylcarbamate
PubChem CID141322688
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[2-(aminomethyl)phenyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccccc1CN
InChIInChI=1S/C12H18N2O2/c1-12(2,3)14-11(15)16-10-7-5-4-6-9(10)8-13/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyDPDOIKAQJXSCCH-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromopropyl)phenyl] N-tert-butylcarbamate
CID 174427179
[2-(aminomethyl)phenyl] acetate;oxalic acid
CID 70035962
(3-aminonaphthalen-2-yl) N-tert-butylcarbamate
CID 174570423
(3-chloro-2-methylphenyl) N-tert-butylcarbamate
CID 174536414
[2-(aminomethyl)phenyl] pentanoate
CID 174757201
(2-cyclohexylphenyl) N-tert-butylcarbamate
CID 174539940
(3-bromo-2-hydroxyphenyl)methyl N-tert-butylcarbamate
CID 175480142
bis(2-ethylphenyl) 2,2-dimethylpropanedioate
CID 91723973
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
(2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate
CID 19872900
4-[2-(aminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361112
(2-ethylphenyl) N-propylcarbamate
CID 127559161

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)phenyl] N-tert-butylcarbamate?
The IUPAC name of [2-(aminomethyl)phenyl] N-tert-butylcarbamate (CID 141322688) is [2-(aminomethyl)phenyl] N-tert-butylcarbamate.
What is the SMILES notation for [2-(aminomethyl)phenyl] N-tert-butylcarbamate?
The canonical SMILES for [2-(aminomethyl)phenyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1ccccc1CN.
What is the InChIKey of [2-(aminomethyl)phenyl] N-tert-butylcarbamate?
The InChIKey is DPDOIKAQJXSCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)14-11(15)16-10-7-5-4-6-9(10)8-13/h4-7H,8,13H2,1-3H3,(H,14,15).
What are the key properties of [2-(aminomethyl)phenyl] N-tert-butylcarbamate?
[2-(aminomethyl)phenyl] N-tert-butylcarbamate has a molecular weight of 222.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)phenyl] N-tert-butylcarbamate is sourced from PubChem (CID 141322688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).