tert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate

C14H22N2O2 — CID 24689059

IUPACtert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate
SMILESCc1cccc(C(CN)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10-6-5-7-11(8-10)12(9-15)16-13(17)18-14(2,3)4/h5-8,12H,9,15H2,1-4H3,(H,16,17)
InChIKeyHJBLEZNNVMBBFR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.52
Rot. Bonds3

About tert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate

tert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate (PubChem CID 24689059) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate
PubChem CID24689059
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate
SMILESCc1cccc(C(CN)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10-6-5-7-11(8-10)12(9-15)16-13(17)18-14(2,3)4/h5-8,12H,9,15H2,1-4H3,(H,16,17)
InChIKeyHJBLEZNNVMBBFR-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]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

Ethyl benzylcarbamate
CID 75801
tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
CID 2756043
tert-Butyl Benzylcarbamate
CID 4615331
tert-butyl N-[(S)-[(cyanomethyl)carbamoyl](phenyl)methyl]carbamate
CID 11659287
Tert-Butyl {(2s)-1-[formyl(Hydroxy)amino]-3-Phenylpropan-2-Yl}carbamate
CID 9835766
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
(1-Hydroxycarbamoylmethyl-2-phenylethyl)carbamic acidtert-butyl ester
CID 44418815
Methyl 3-{[(methoxycarbonyl)amino]methyl}benzylcarbamate
CID 756957
tert-butyl N-((2-methylphenyl)methyl)carbamate
CID 826765
tert-butyl (3R)-3-phenylpiperazine-1-carboxylate
CID 7015616
(S)-tert-Butyl (1-amino-3-phenylpropan-2-yl)carbamate
CID 10422234
tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate
CID 3354775

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate (CID 24689059) is tert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate is Cc1cccc(C(CN)NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate?
The InChIKey is HJBLEZNNVMBBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-6-5-7-11(8-10)12(9-15)16-13(17)18-14(2,3)4/h5-8,12H,9,15H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate?
tert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-1-(3-methylphenyl)ethyl]carbamate is sourced from PubChem (CID 24689059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).