tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate

C18H30N2O2 — CID 107248220

IUPACtert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate
SMILESCc1ccc(C(C)NC(C)CNC(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C18H30N2O2/c1-12-8-9-16(10-13(12)2)15(4)20-14(3)11-19-17(21)22-18(5,6)7/h8-10,14-15,20H,11H2,1-7H3,(H,19,21)
InChIKeyBLQBDLTWHLNENY-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.87
Rot. Bonds5

About tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate

tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate (PubChem CID 107248220) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate
PubChem CID107248220
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate
SMILESCc1ccc(C(C)NC(C)CNC(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C18H30N2O2/c1-12-8-9-16(10-13(12)2)15(4)20-14(3)11-19-17(21)22-18(5,6)7/h8-10,14-15,20H,11H2,1-7H3,(H,19,21)
InChIKeyBLQBDLTWHLNENY-UHFFFAOYSA-N
XLogP3.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]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

tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
CID 107248584
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103390477
tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
CID 103390485
tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
CID 70806696
tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
CID 103388764
tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
CID 103390508
tert-butyl N-[3-(3,4-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831663
tert-butyl N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]propyl]carbamate
CID 103388164
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
CID 103388158
tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate
CID 107251337
tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate
CID 107248228

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate (CID 107248220) is tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate is Cc1ccc(C(C)NC(C)CNC(=O)OC(C)(C)C)cc1C.
What is the InChIKey of tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate?
The InChIKey is BLQBDLTWHLNENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-12-8-9-16(10-13(12)2)15(4)20-14(3)11-19-17(21)22-18(5,6)7/h8-10,14-15,20H,11H2,1-7H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate?
tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate has a molecular weight of 306.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate is sourced from PubChem (CID 107248220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).