2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate

C14H22N2O2 — CID 55079122

IUPAC2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
SMILESCC(C)COC(=O)NCc1ccc(CCN)cc1
InChIInChI=1S/C14H22N2O2/c1-11(2)10-18-14(17)16-9-13-5-3-12(4-6-13)7-8-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyJTVYYKPSCQNQCK-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.07
Rot. Bonds6

About 2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate

2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate (PubChem CID 55079122) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
PubChem CID55079122
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
SMILESCC(C)COC(=O)NCc1ccc(CCN)cc1
InChIInChI=1S/C14H22N2O2/c1-11(2)10-18-14(17)16-9-13-5-3-12(4-6-13)7-8-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyJTVYYKPSCQNQCK-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43176413
propyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
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N-[[4-(2-aminoethyl)phenyl]methyl]but-2-ynamide
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2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate?
The IUPAC name of 2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate (CID 55079122) is 2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate is CC(C)COC(=O)NCc1ccc(CCN)cc1.
What is the InChIKey of 2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate?
The InChIKey is JTVYYKPSCQNQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)10-18-14(17)16-9-13-5-3-12(4-6-13)7-8-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate?
2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 55079122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).