tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate

C19H32N2O2 — CID 107245604

IUPACtert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate
SMILESCc1ccccc1C(C)NCCN(C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C19H32N2O2/c1-14(2)21(18(22)23-19(5,6)7)13-12-20-16(4)17-11-9-8-10-15(17)3/h8-11,14,16,20H,12-13H2,1-7H3
InChIKeyXOKSJBUQIWHFQS-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.29
Rot. Bonds6

About tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate

tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate (PubChem CID 107245604) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate
PubChem CID107245604
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate
SMILESCc1ccccc1C(C)NCCN(C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C19H32N2O2/c1-14(2)21(18(22)23-19(5,6)7)13-12-20-16(4)17-11-9-8-10-15(17)3/h8-11,14,16,20H,12-13H2,1-7H3
InChIKeyXOKSJBUQIWHFQS-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(1-phenylethylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245596
tert-butyl N-propan-2-yl-N-[2-(1-pyridin-2-ylethylamino)ethyl]carbamate
CID 107245661
tert-butyl 2-[1-(2-methylphenyl)ethylamino]acetate
CID 60679878
(1R)-N-(2-tert-butylsulfonylethyl)-1-(2-methylphenyl)ethanamine
CID 106724109
tert-butyl N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]-N-propan-2-ylcarbamate
CID 107245927
tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
CID 103390508
tert-butyl N-[3-[1-(2-chlorophenyl)ethylamino]propyl]-N-methylcarbamate
CID 107242245
3-[1-(2-methylphenyl)ethylamino]propanoic acid
CID 43087225
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245904
3,3-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 81375562
tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 103716862
tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate
CID 107242692

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate (CID 107245604) is tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate is Cc1ccccc1C(C)NCCN(C(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate?
The InChIKey is XOKSJBUQIWHFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-14(2)21(18(22)23-19(5,6)7)13-12-20-16(4)17-11-9-8-10-15(17)3/h8-11,14,16,20H,12-13H2,1-7H3.
What are the key properties of tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate?
tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate has a molecular weight of 320.48 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2-methylphenyl)ethylamino]ethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 107245604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).