tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate

C17H26Cl2N2O2 — CID 107250064

IUPACtert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate
SMILESCC(NCC(C)(C)NC(=O)OC(C)(C)C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H26Cl2N2O2/c1-11(13-9-12(18)7-8-14(13)19)20-10-17(5,6)21-15(22)23-16(2,3)4/h7-9,11,20H,10H2,1-6H3,(H,21,22)
InChIKeyIAMNRKKACNKLQK-UHFFFAOYSA-N
MW361.31 g/mol
LogP4.95
Rot. Bonds5

About tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate (PubChem CID 107250064) has the molecular formula C17H26Cl2N2O2 and a molecular weight of 361.31 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate
PubChem CID107250064
Molecular FormulaC17H26Cl2N2O2
Molecular Weight361.31 g/mol
Exact Mass360.14
IUPAC Nametert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate
SMILESCC(NCC(C)(C)NC(=O)OC(C)(C)C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H26Cl2N2O2/c1-11(13-9-12(18)7-8-14(13)19)20-10-17(5,6)21-15(22)23-16(2,3)4/h7-9,11,20H,10H2,1-6H3,(H,21,22)
InChIKeyIAMNRKKACNKLQK-UHFFFAOYSA-N
XLogP4.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-amino-1-(3-chlorophenyl)ethyl)carbamate
CID 56686932
tert-butyl N-[2-amino-1-(4-chlorophenyl)ethyl]carbamate
CID 57750386
tert-Butyl 3-(3-chlorophenyl)piperazine-1-carboxylate
CID 70701067
tert-Butyl 3-(2-chlorophenyl)piperazine-1-carboxylate
CID 70701068
2-(Boc-amino)-2-(2-chlorophenyl)ethanamine
CID 59536931
tert-butyl N-(2-amino-1-(3-chloro-5-fluorophenyl)ethyl)carbamate
CID 146081153
tert-butyl N-(2-amino-1-(4-chloro-3-(trifluoromethyl)phenyl)ethyl)carbamate
CID 146081154
tert-butyl N-[2-amino-2-(3-chloro-5-fluorophenyl)ethyl]carbamate
CID 165621059
tert-butyl N-(2-amino-2-(3,5-dichlorophenyl)ethyl)carbamate
CID 165621587
tert-butyl N-[2-amino-2-(2,3-dichlorophenyl)ethyl]carbamate
CID 165622318
tert-butyl N-[2-amino-2-(2-chloro-5-fluorophenyl)ethyl]carbamate
CID 165623626
tert-Butyl 3-(2-chloro-4-fluorophenyl)-1,4-diazocane-1-carboxylate
CID 72734227

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate (CID 107250064) is tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate is CC(NCC(C)(C)NC(=O)OC(C)(C)C)c1cc(Cl)ccc1Cl.
What is the InChIKey of tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate?
The InChIKey is IAMNRKKACNKLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2O2/c1-11(13-9-12(18)7-8-14(13)19)20-10-17(5,6)21-15(22)23-16(2,3)4/h7-9,11,20H,10H2,1-6H3,(H,21,22).
What are the key properties of tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate has a molecular weight of 361.31 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 107250064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).