N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

C18H19NO2 — CID 79884045

IUPACN-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESc1ccc(C2CC2)c(CNc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H19NO2/c1-2-4-16(13-5-6-13)14(3-1)12-19-15-7-8-17-18(11-15)21-10-9-20-17/h1-4,7-8,11,13,19H,5-6,9-10,12H2
InChIKeyOPIGYCIUQRZQPJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.95
Rot. Bonds4

About N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine

N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 79884045) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID79884045
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESc1ccc(C2CC2)c(CNc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C18H19NO2/c1-2-4-16(13-5-6-13)14(3-1)12-19-15-7-8-17-18(11-15)21-10-9-20-17/h1-4,7-8,11,13,19H,5-6,9-10,12H2
InChIKeyOPIGYCIUQRZQPJ-UHFFFAOYSA-N
XLogP3.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 79969495
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 80648500
N-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115695848
4-[(2-cyclopropylphenyl)methylamino]benzonitrile
CID 79979257
3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]benzene-1,2-diol
CID 61320305
3-chloro-N-[(2-cyclopropylphenyl)methyl]-5-fluoroaniline
CID 107364179
5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzonitrile
CID 79979673
4-bromo-N-[(2-cyclopropylphenyl)methyl]-3-methoxyaniline
CID 82857347
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 79883117
N-[(2-cyclopropylphenyl)methyl]-3-(oxan-4-ylsulfonyl)aniline
CID 131963885
N-[(2-cyclopropylphenyl)methyl]-4-methylsulfonylaniline
CID 79969795
N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline
CID 79979514

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine (CID 79884045) is N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is c1ccc(C2CC2)c(CNc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is OPIGYCIUQRZQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-4-16(13-5-6-13)14(3-1)12-19-15-7-8-17-18(11-15)21-10-9-20-17/h1-4,7-8,11,13,19H,5-6,9-10,12H2.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine?
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 281.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 79884045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).