(3-aminonaphthalen-2-yl) N-tert-butylcarbamate

C15H18N2O2 — CID 174570423

IUPAC(3-aminonaphthalen-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1cc2ccccc2cc1N
InChIInChI=1S/C15H18N2O2/c1-15(2,3)17-14(18)19-13-9-11-7-5-4-6-10(11)8-12(13)16/h4-9H,16H2,1-3H3,(H,17,18)
InChIKeyROYWYYXKGRHZJV-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.31
Rot. Bonds1

About (3-aminonaphthalen-2-yl) N-tert-butylcarbamate

(3-aminonaphthalen-2-yl) N-tert-butylcarbamate (PubChem CID 174570423) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (3-aminonaphthalen-2-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(3-aminonaphthalen-2-yl) N-tert-butylcarbamate
PubChem CID174570423
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(3-aminonaphthalen-2-yl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1cc2ccccc2cc1N
InChIInChI=1S/C15H18N2O2/c1-15(2,3)17-14(18)19-13-9-11-7-5-4-6-10(11)8-12(13)16/h4-9H,16H2,1-3H3,(H,17,18)
InChIKeyROYWYYXKGRHZJV-UHFFFAOYSA-N
XLogP3.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-amino-4-methyl-5-(trifluoromethyl)phenyl] N-tert-butylcarbamate
CID 174510277
[2-(aminomethyl)phenyl] N-tert-butylcarbamate
CID 141322688
(3-amino-4-methylphenyl) N-tert-butylcarbamate
CID 68878688
[4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate
CID 141158237
[2-amino-5-(4-methylpiperazin-1-yl)phenyl] N-tert-butylcarbamate
CID 156540244
[2-amino-4-chloro-5-[ethyl(methyl)amino]phenyl] N-tert-butylcarbamate
CID 174407189
[2-amino-5-[methyl(propan-2-yl)amino]-4-(trifluoromethyl)phenyl] N-tert-butylcarbamate
CID 174424005
(2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate
CID 19872900
(2,4,5-trifluorophenyl) N-tert-butylcarbamate
CID 127550277
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 61209365
(2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate
CID 143234813
[2-amino-5-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)phenyl] N-tert-butylcarbamate
CID 174424086

Frequently Asked Questions

What is the IUPAC name of (3-aminonaphthalen-2-yl) N-tert-butylcarbamate?
The IUPAC name of (3-aminonaphthalen-2-yl) N-tert-butylcarbamate (CID 174570423) is (3-aminonaphthalen-2-yl) N-tert-butylcarbamate.
What is the SMILES notation for (3-aminonaphthalen-2-yl) N-tert-butylcarbamate?
The canonical SMILES for (3-aminonaphthalen-2-yl) N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1cc2ccccc2cc1N.
What is the InChIKey of (3-aminonaphthalen-2-yl) N-tert-butylcarbamate?
The InChIKey is ROYWYYXKGRHZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,3)17-14(18)19-13-9-11-7-5-4-6-10(11)8-12(13)16/h4-9H,16H2,1-3H3,(H,17,18).
What are the key properties of (3-aminonaphthalen-2-yl) N-tert-butylcarbamate?
(3-aminonaphthalen-2-yl) N-tert-butylcarbamate has a molecular weight of 258.32 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminonaphthalen-2-yl) N-tert-butylcarbamate is sourced from PubChem (CID 174570423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).