(5-bromo-7-fluoronaphthalen-2-yl)methanamine

C11H9BrFN — CID 135396100

IUPAC(5-bromo-7-fluoronaphthalen-2-yl)methanamine
SMILESNCc1ccc2c(Br)cc(F)cc2c1
InChIInChI=1S/C11H9BrFN/c12-11-5-9(13)4-8-3-7(6-14)1-2-10(8)11/h1-5H,6,14H2
InChIKeyLDEFJZNDPMSYOP-UHFFFAOYSA-N
MW254.10 g/mol
LogP3.20
Rot. Bonds1

About (5-bromo-7-fluoronaphthalen-2-yl)methanamine

(5-bromo-7-fluoronaphthalen-2-yl)methanamine (PubChem CID 135396100) has the molecular formula C11H9BrFN and a molecular weight of 254.10 g/mol. Its IUPAC name is (5-bromo-7-fluoronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-7-fluoronaphthalen-2-yl)methanamine
PubChem CID135396100
Molecular FormulaC11H9BrFN
Molecular Weight254.10 g/mol
Exact Mass252.99
IUPAC Name(5-bromo-7-fluoronaphthalen-2-yl)methanamine
SMILESNCc1ccc2c(Br)cc(F)cc2c1
InChIInChI=1S/C11H9BrFN/c12-11-5-9(13)4-8-3-7(6-14)1-2-10(8)11/h1-5H,6,14H2
InChIKeyLDEFJZNDPMSYOP-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[6-(aminomethyl)naphthalen-2-yl]methanamine
CID 67748708
[3-bromo-4-[(3,5-difluorophenoxy)methyl]phenyl]methanamine
CID 102773521
(8-bromo-6-fluoroquinolin-2-yl)methanamine
CID 130172047
[1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine
CID 79709523
6-(aminomethyl)-3-chloroisoquinolin-1-amine
CID 118482425
[4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride
CID 162330321
3-bromo-5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 43379351
[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886388
[3,5-dibromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methanamine
CID 107741538
3-bromo-5-fluoro-2-[(4-methylphenyl)methoxy]aniline
CID 43379387
ethane;(4-fluorophenyl)methanamine
CID 142071105
2-(aminomethyl)-3-bromo-5-fluorophenol
CID 119001457

Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-fluoronaphthalen-2-yl)methanamine?
The IUPAC name of (5-bromo-7-fluoronaphthalen-2-yl)methanamine (CID 135396100) is (5-bromo-7-fluoronaphthalen-2-yl)methanamine.
What is the SMILES notation for (5-bromo-7-fluoronaphthalen-2-yl)methanamine?
The canonical SMILES for (5-bromo-7-fluoronaphthalen-2-yl)methanamine is NCc1ccc2c(Br)cc(F)cc2c1.
What is the InChIKey of (5-bromo-7-fluoronaphthalen-2-yl)methanamine?
The InChIKey is LDEFJZNDPMSYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN/c12-11-5-9(13)4-8-3-7(6-14)1-2-10(8)11/h1-5H,6,14H2.
What are the key properties of (5-bromo-7-fluoronaphthalen-2-yl)methanamine?
(5-bromo-7-fluoronaphthalen-2-yl)methanamine has a molecular weight of 254.10 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-fluoronaphthalen-2-yl)methanamine is sourced from PubChem (CID 135396100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).