tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate

C16H26N2O2 — CID 115644655

IUPACtert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate
SMILESCCc1ccccc1CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-5-13-8-6-7-9-14(13)12-17-10-11-18-15(19)20-16(2,3)4/h6-9,17H,5,10-12H2,1-4H3,(H,18,19)
InChIKeyNJCHTTBTQSUFIP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.86
Rot. Bonds6

About tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate

tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate (PubChem CID 115644655) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate
PubChem CID115644655
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nametert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate
SMILESCCc1ccccc1CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-5-13-8-6-7-9-14(13)12-17-10-11-18-15(19)20-16(2,3)4/h6-9,17H,5,10-12H2,1-4H3,(H,18,19)
InChIKeyNJCHTTBTQSUFIP-UHFFFAOYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
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CID 103740181
N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine
CID 113405413
tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
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tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
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tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]benzoic acid
CID 107241445
tert-butyl N-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]carbamate
CID 103641097
tert-butyl N-[2-[2-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 141182923
tert-butyl N-[6-(benzylamino)hexyl]carbamate
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CID 165353198

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate (CID 115644655) is tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate is CCc1ccccc1CNCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate?
The InChIKey is NJCHTTBTQSUFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-13-8-6-7-9-14(13)12-17-10-11-18-15(19)20-16(2,3)4/h6-9,17H,5,10-12H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate?
tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate has a molecular weight of 278.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-ethylphenyl)methylamino]ethyl]carbamate is sourced from PubChem (CID 115644655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).