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

C17H28N2O2 — CID 103390508

IUPACtert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
SMILESCc1ccccc1[C@@H](C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-12-9-7-8-10-15(12)14(3)19-13(2)11-18-16(20)21-17(4,5)6/h7-10,13-14,19H,11H2,1-6H3,(H,18,20)/t13?,14-/m1/s1
InChIKeyAOJYIBNSEMPJCL-ARLHGKGLSA-N
MW292.42 g/mol
LogP3.56
Rot. Bonds5

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

tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate (PubChem CID 103390508) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
PubChem CID103390508
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nametert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
SMILESCc1ccccc1[C@@H](C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-12-9-7-8-10-15(12)14(3)19-13(2)11-18-16(20)21-17(4,5)6/h7-10,13-14,19H,11H2,1-6H3,(H,18,20)/t13?,14-/m1/s1
InChIKeyAOJYIBNSEMPJCL-ARLHGKGLSA-N
XLogP3.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate
CID 103390521
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]propyl]carbamate
CID 103388164
tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate
CID 107248220
tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
CID 70806696
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
CID 103388158
tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate
CID 107248228
tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate
CID 107248495
tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate
CID 103388310
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate
CID 107862352
tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
CID 103388764

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate (CID 103390508) is tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate is Cc1ccccc1[C@@H](C)NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate?
The InChIKey is AOJYIBNSEMPJCL-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12-9-7-8-10-15(12)14(3)19-13(2)11-18-16(20)21-17(4,5)6/h7-10,13-14,19H,11H2,1-6H3,(H,18,20)/t13?,14-/m1/s1.
What are the key properties of tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate?
tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate has a molecular weight of 292.42 g/mol, XLogP of 3.56, 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-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate is sourced from PubChem (CID 103390508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).