tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate

C14H22N2O2 — CID 74220322

IUPACtert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
SMILESCNCC(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-12(10-15-4)11-8-6-5-7-9-11/h5-9,12,15H,10H2,1-4H3,(H,16,17)
InChIKeyDBTSLMGONFPIBQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.47
Rot. Bonds4

About tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate

tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate (PubChem CID 74220322) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
PubChem CID74220322
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
SMILESCNCC(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-12(10-15-4)11-8-6-5-7-9-11/h5-9,12,15H,10H2,1-4H3,(H,16,17)
InChIKeyDBTSLMGONFPIBQ-UHFFFAOYSA-N
XLogP2.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]amino]butanoic acid
CID 107241106
tert-butyl N-[(1R)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338638
tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338637
tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate
CID 107241116
tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate
CID 103700824
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
S-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl] ethanethioate
CID 59924169
tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate
CID 103786410
tert-butyl N-[(1R)-1,3-diphenylbut-3-enyl]carbamate
CID 162418431
tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate
CID 148820696
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate (CID 74220322) is tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate is CNCC(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate?
The InChIKey is DBTSLMGONFPIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-12(10-15-4)11-8-6-5-7-9-11/h5-9,12,15H,10H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate?
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate is sourced from PubChem (CID 74220322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).