[2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid

C14H22N2O3 — CID 89499594

IUPAC[2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid
SMILESCOc1cccc(C(N)CN(C(=O)O)C(C)(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)16(13(17)18)9-12(15)10-6-5-7-11(8-10)19-4/h5-8,12H,9,15H2,1-4H3,(H,17,18)
InChIKeyOTVCZDVETQHMIP-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.47
Rot. Bonds4

About [2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid

[2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid (PubChem CID 89499594) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid
PubChem CID89499594
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid
SMILESCOc1cccc(C(N)CN(C(=O)O)C(C)(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)16(13(17)18)9-12(15)10-6-5-7-11(8-10)19-4/h5-8,12H,9,15H2,1-4H3,(H,17,18)
InChIKeyOTVCZDVETQHMIP-UHFFFAOYSA-N
XLogP2.47
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-amino-3-(3-methoxyphenyl)propanoate
CID 54039799
3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 103024842
tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride
CID 86767626
(3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171239631
2-amino-3-fluoro-3-(3-methoxyphenyl)propanoic acid
CID 105466535
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 55000916
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780
(3R)-3-amino-3-(3-methoxyphenyl)-N-methyl-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]propanamide
CID 70218111
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62862003
3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid
CID 53398455

Frequently Asked Questions

What is the IUPAC name of [2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid?
The IUPAC name of [2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid (CID 89499594) is [2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid.
What is the SMILES notation for [2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid?
The canonical SMILES for [2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid is COc1cccc(C(N)CN(C(=O)O)C(C)(C)C)c1.
What is the InChIKey of [2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid?
The InChIKey is OTVCZDVETQHMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)16(13(17)18)9-12(15)10-6-5-7-11(8-10)19-4/h5-8,12H,9,15H2,1-4H3,(H,17,18).
What are the key properties of [2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid?
[2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid has a molecular weight of 266.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-(3-methoxyphenyl)ethyl]-tert-butylcarbamic acid is sourced from PubChem (CID 89499594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).