[1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate

C12H18N2O2 — CID 174531386

IUPAC[1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate
SMILESCC(C)C(OC(N)=O)c1cccc(CN)c1
InChIInChI=1S/C12H18N2O2/c1-8(2)11(16-12(14)15)10-5-3-4-9(6-10)7-13/h3-6,8,11H,7,13H2,1-2H3,(H2,14,15)
InChIKeyFYZACPXTZXSBIW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.94
Rot. Bonds4

About [1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate

[1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate (PubChem CID 174531386) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate.

Molecular Properties

Compound Name[1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate
PubChem CID174531386
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate
SMILESCC(C)C(OC(N)=O)c1cccc(CN)c1
InChIInChI=1S/C12H18N2O2/c1-8(2)11(16-12(14)15)10-5-3-4-9(6-10)7-13/h3-6,8,11H,7,13H2,1-2H3,(H2,14,15)
InChIKeyFYZACPXTZXSBIW-UHFFFAOYSA-N
XLogP1.94
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-propan-2-ylphenyl)methanamine
CID 21085835
[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
CID 83856261
[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115018814
1-[3-(aminomethyl)phenyl]ethanesulfonamide
CID 91356292
N-[1-[3-(aminomethyl)phenyl]ethyl]-2-chloroacetamide
CID 165440691
ethyl 2-[3-(aminomethyl)phenyl]-3-oxopropanoate
CID 174354792
3-[3-[1-(dimethylamino)ethyl]phenyl]propyl carbamate
CID 91318489
1-[3-(aminomethyl)phenyl]propane-1,2,3-triol
CID 170817590
4-methylpentan-2-yl 3-(aminomethyl)benzoate
CID 61278416
butan-2-yl 3-(aminomethyl)benzoate
CID 60903488
[3-(aminomethyl)phenyl]-propoxymethanol
CID 143382418
1-[3-(aminomethyl)phenyl]-4-sulfanylbutane-1,2-diol
CID 171873821

Frequently Asked Questions

What is the IUPAC name of [1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate?
The IUPAC name of [1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate (CID 174531386) is [1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate.
What is the SMILES notation for [1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate?
The canonical SMILES for [1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate is CC(C)C(OC(N)=O)c1cccc(CN)c1.
What is the InChIKey of [1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate?
The InChIKey is FYZACPXTZXSBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)11(16-12(14)15)10-5-3-4-9(6-10)7-13/h3-6,8,11H,7,13H2,1-2H3,(H2,14,15).
What are the key properties of [1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate?
[1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate has a molecular weight of 222.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate is sourced from PubChem (CID 174531386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).