1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine

C19H22BrN — CID 63504181

IUPAC1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(Br)cc2)CCCc2ccccc21
InChIInChI=1S/C19H22BrN/c1-21-14-19(13-15-8-10-17(20)11-9-15)12-4-6-16-5-2-3-7-18(16)19/h2-3,5,7-11,21H,4,6,12-14H2,1H3
InChIKeyNNGPJSIFJYQSOZ-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.49
Rot. Bonds4

About 1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine

1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine (PubChem CID 63504181) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
PubChem CID63504181
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(Br)cc2)CCCc2ccccc21
InChIInChI=1S/C19H22BrN/c1-21-14-19(13-15-8-10-17(20)11-9-15)12-4-6-16-5-2-3-7-18(16)19/h2-3,5,7-11,21H,4,6,12-14H2,1H3
InChIKeyNNGPJSIFJYQSOZ-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine (CID 63504181) is 1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine is CNCC1(Cc2ccc(Br)cc2)CCCc2ccccc21.
What is the InChIKey of 1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine?
The InChIKey is NNGPJSIFJYQSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c1-21-14-19(13-15-8-10-17(20)11-9-15)12-4-6-16-5-2-3-7-18(16)19/h2-3,5,7-11,21H,4,6,12-14H2,1H3.
What are the key properties of 1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine?
1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine has a molecular weight of 344.30 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]-N-methylmethanamine is sourced from PubChem (CID 63504181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).