1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine

C19H23NO — CID 115419799

IUPAC1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccccc1CC1(N)CCC(C)c2ccccc21
InChIInChI=1S/C19H23NO/c1-14-11-12-19(20,17-9-5-4-8-16(14)17)13-15-7-3-6-10-18(15)21-2/h3-10,14H,11-13,20H2,1-2H3
InChIKeyFZBRVLAHDOBLRG-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.99
Rot. Bonds3

About 1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine

1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 115419799) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID115419799
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccccc1CC1(N)CCC(C)c2ccccc21
InChIInChI=1S/C19H23NO/c1-14-11-12-19(20,17-9-5-4-8-16(14)17)13-15-7-3-6-10-18(15)21-2/h3-10,14H,11-13,20H2,1-2H3
InChIKeyFZBRVLAHDOBLRG-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine (CID 115419799) is 1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine is COc1ccccc1CC1(N)CCC(C)c2ccccc21.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is FZBRVLAHDOBLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-11-12-19(20,17-9-5-4-8-16(14)17)13-15-7-3-6-10-18(15)21-2/h3-10,14H,11-13,20H2,1-2H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 115419799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).