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

C16H25BrN2O2 — CID 103390521

IUPACtert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N[C@H](C)c1ccccc1Br
InChIInChI=1S/C16H25BrN2O2/c1-11(10-18-15(20)21-16(3,4)5)19-12(2)13-8-6-7-9-14(13)17/h6-9,11-12,19H,10H2,1-5H3,(H,18,20)/t11?,12-/m1/s1
InChIKeyICKUQKNUBZRLTH-PIJUOVFKSA-N
MW357.29 g/mol
LogP4.01
Rot. Bonds5

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

tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate (PubChem CID 103390521) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate
PubChem CID103390521
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Nametert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N[C@H](C)c1ccccc1Br
InChIInChI=1S/C16H25BrN2O2/c1-11(10-18-15(20)21-16(3,4)5)19-12(2)13-8-6-7-9-14(13)17/h6-9,11-12,19H,10H2,1-5H3,(H,18,20)/t11?,12-/m1/s1
InChIKeyICKUQKNUBZRLTH-PIJUOVFKSA-N
XLogP4.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
CID 103390508
tert-butyl N-[2-[1-(2,4-dibromophenyl)ethylamino]propyl]carbamate
CID 107248228
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]carbamate
CID 51217500
tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
CID 70806696
tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate
CID 103388310
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]butanoic acid
CID 81383676
tert-butyl N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]propyl]carbamate
CID 103388164
tert-butyl N-[(1R)-1-(2-bromophenyl)-2-hydroxyethyl]carbamate
CID 151826390
tert-butyl N-[2-[(2-bromophenyl)methylamino]-4-methylpentyl]carbamate
CID 107252268
tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate
CID 107248495
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate (CID 103390521) is tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)N[C@H](C)c1ccccc1Br.
What is the InChIKey of tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate?
The InChIKey is ICKUQKNUBZRLTH-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-11(10-18-15(20)21-16(3,4)5)19-12(2)13-8-6-7-9-14(13)17/h6-9,11-12,19H,10H2,1-5H3,(H,18,20)/t11?,12-/m1/s1.
What are the key properties of tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate?
tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate has a molecular weight of 357.29 g/mol, XLogP of 4.01, 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-bromophenyl)ethyl]amino]propyl]carbamate is sourced from PubChem (CID 103390521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).