1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene

C19H17Br — CID 63435816

IUPAC1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene
SMILESCc1ccc(C(Br)c2cccc3ccccc23)cc1C
InChIInChI=1S/C19H17Br/c1-13-10-11-16(12-14(13)2)19(20)18-9-5-7-15-6-3-4-8-17(15)18/h3-12,19H,1-2H3
InChIKeyFDRLUWCXKDQOQV-UHFFFAOYSA-N
MW325.25 g/mol
LogP5.94
Rot. Bonds2

About 1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene

1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene (PubChem CID 63435816) has the molecular formula C19H17Br and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene
PubChem CID63435816
Molecular FormulaC19H17Br
Molecular Weight325.25 g/mol
Exact Mass324.05
IUPAC Name1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene
SMILESCc1ccc(C(Br)c2cccc3ccccc23)cc1C
InChIInChI=1S/C19H17Br/c1-13-10-11-16(12-14(13)2)19(20)18-9-5-7-15-6-3-4-8-17(15)18/h3-12,19H,1-2H3
InChIKeyFDRLUWCXKDQOQV-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.25
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethylphenyl)-naphthalen-1-ylmethanamine
CID 43149180
1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene
CID 63444748
4-[bromo-(2-methylsulfanylphenyl)methyl]-1,2-dimethylbenzene
CID 79217999
(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
CID 81476478
(4-methoxy-3-methylphenyl)-naphthalen-1-ylmethanamine
CID 43379648
(S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol
CID 100804217
1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene
CID 81476246
1-bromo-4-[bromo-(3-chloro-4-methylphenyl)methyl]naphthalene
CID 79590704
[(5-bromo-2-methylphenyl)-naphthalen-1-ylmethyl]hydrazine
CID 105301219
naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 64990309
1-[bromo-(4-bromo-3-fluorophenyl)methyl]-2-methylnaphthalene
CID 81430765
2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene
CID 63443034

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene?
The IUPAC name of 1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene (CID 63435816) is 1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene.
What is the SMILES notation for 1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene?
The canonical SMILES for 1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene is Cc1ccc(C(Br)c2cccc3ccccc23)cc1C.
What is the InChIKey of 1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene?
The InChIKey is FDRLUWCXKDQOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Br/c1-13-10-11-16(12-14(13)2)19(20)18-9-5-7-15-6-3-4-8-17(15)18/h3-12,19H,1-2H3.
What are the key properties of 1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene?
1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene has a molecular weight of 325.25 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene is sourced from PubChem (CID 63435816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).