N-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine

C18H15NO2 — CID 43680230

IUPACN-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine
SMILESc1cc(CNc2ccc3ccccc3c2)c2c(c1)OCO2
InChIInChI=1S/C18H15NO2/c1-2-5-14-10-16(9-8-13(14)4-1)19-11-15-6-3-7-17-18(15)21-12-20-17/h1-10,19H,11-12H2
InChIKeyLANLNEMOVMAULV-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.18
Rot. Bonds3

About N-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine

N-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine (PubChem CID 43680230) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine
PubChem CID43680230
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine
SMILESc1cc(CNc2ccc3ccccc3c2)c2c(c1)OCO2
InChIInChI=1S/C18H15NO2/c1-2-5-14-10-16(9-8-13(14)4-1)19-11-15-6-3-7-17-18(15)21-12-20-17/h1-10,19H,11-12H2
InChIKeyLANLNEMOVMAULV-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-4-iodoaniline
CID 43583834
N-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732597
[3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol
CID 43714991
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridin-4-amine
CID 106194181
N-(1,3-benzodioxol-4-ylmethyl)-4-(4-chlorophenoxy)aniline
CID 166247612
5-(1,3-benzodioxol-4-ylmethylamino)-2-hydroxybenzoic acid
CID 127031137
N-(1,3-benzodioxol-4-ylmethyl)-4-propylaniline
CID 43583678
N-(1,3-benzodioxol-4-ylmethyl)-4-bromo-3-nitroaniline
CID 79753840
N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-3-nitroaniline
CID 43718277
N-(1,3-benzodioxol-4-ylmethyl)-3-chloro-5-fluoroaniline
CID 103818384
N-(1,3-benzodioxol-4-ylmethyl)-1H-pyrazol-4-amine
CID 43583965
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dichloroaniline
CID 65467779

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine (CID 43680230) is N-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine is c1cc(CNc2ccc3ccccc3c2)c2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine?
The InChIKey is LANLNEMOVMAULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-2-5-14-10-16(9-8-13(14)4-1)19-11-15-6-3-7-17-18(15)21-12-20-17/h1-10,19H,11-12H2.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine?
N-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine has a molecular weight of 277.32 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)naphthalen-2-amine is sourced from PubChem (CID 43680230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).