[4-(aminomethyl)phenyl] naphthalen-2-yl carbonate

C18H15NO3 — CID 86295383

IUPAC[4-(aminomethyl)phenyl] naphthalen-2-yl carbonate
SMILESNCc1ccc(OC(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H15NO3/c19-12-13-5-8-16(9-6-13)21-18(20)22-17-10-7-14-3-1-2-4-15(14)11-17/h1-11H,12,19H2
InChIKeyNWEFLCOABYDDSB-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.88
Rot. Bonds3

About [4-(aminomethyl)phenyl] naphthalen-2-yl carbonate

[4-(aminomethyl)phenyl] naphthalen-2-yl carbonate (PubChem CID 86295383) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl] naphthalen-2-yl carbonate.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl] naphthalen-2-yl carbonate
PubChem CID86295383
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name[4-(aminomethyl)phenyl] naphthalen-2-yl carbonate
SMILESNCc1ccc(OC(=O)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H15NO3/c19-12-13-5-8-16(9-6-13)21-18(20)22-17-10-7-14-3-1-2-4-15(14)11-17/h1-11H,12,19H2
InChIKeyNWEFLCOABYDDSB-UHFFFAOYSA-N
XLogP3.88
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[4-[4-(aminomethyl)phenyl]phenyl] carbonate
CID 140708041
[4-[(hydrazinylmethylideneamino)methyl]phenyl] naphthalen-2-yl carbonate
CID 155547866
naphthalen-2-yl 3-aminopropanoate
CID 82113672
[4-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 20990903
bis(bis[4-(4-naphthalen-2-ylphenyl)phenyl] carbonate);carbonic acid
CID 174756889
[4-(aminomethyl)phenyl] hydrogen carbonate
CID 140909552
dinaphthalen-2-yl (2R,3R)-2,3-dihydroxybutanedioate
CID 139091149
naphthalen-2-yl trichloromethyl carbonate
CID 141321648
[4-(aminomethyl)phenyl] 2-oxoacetate
CID 174371182
dinaphthalen-2-yl (2S)-2-hydroxybutanedioate
CID 101049041
naphthalen-2-yl 4-(acetamidomethyl)benzoate
CID 43030693
[4-(aminomethyl)phenyl] propanoate
CID 23063742

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl] naphthalen-2-yl carbonate?
The IUPAC name of [4-(aminomethyl)phenyl] naphthalen-2-yl carbonate (CID 86295383) is [4-(aminomethyl)phenyl] naphthalen-2-yl carbonate.
What is the SMILES notation for [4-(aminomethyl)phenyl] naphthalen-2-yl carbonate?
The canonical SMILES for [4-(aminomethyl)phenyl] naphthalen-2-yl carbonate is NCc1ccc(OC(=O)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl] naphthalen-2-yl carbonate?
The InChIKey is NWEFLCOABYDDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c19-12-13-5-8-16(9-6-13)21-18(20)22-17-10-7-14-3-1-2-4-15(14)11-17/h1-11H,12,19H2.
What are the key properties of [4-(aminomethyl)phenyl] naphthalen-2-yl carbonate?
[4-(aminomethyl)phenyl] naphthalen-2-yl carbonate has a molecular weight of 293.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl] naphthalen-2-yl carbonate is sourced from PubChem (CID 86295383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).