2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine

C14H16BrF2N — CID 106273551

IUPAC2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2c(F)ccc(Br)c2F)CC2CCC1C2
InChIInChI=1S/C14H16BrF2N/c15-11-3-4-12(16)10(13(11)17)7-14(18)6-8-1-2-9(14)5-8/h3-4,8-9H,1-2,5-7,18H2
InChIKeyCSSULVJOEXCRPN-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.79
Rot. Bonds2

About 2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine

2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 106273551) has the molecular formula C14H16BrF2N and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID106273551
Molecular FormulaC14H16BrF2N
Molecular Weight316.19 g/mol
Exact Mass315.04
IUPAC Name2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2c(F)ccc(Br)c2F)CC2CCC1C2
InChIInChI=1S/C14H16BrF2N/c15-11-3-4-12(16)10(13(11)17)7-14(18)6-8-1-2-9(14)5-8/h3-4,8-9H,1-2,5-7,18H2
InChIKeyCSSULVJOEXCRPN-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-2,6-difluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 106273632
3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 106273565
4-amino-1-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol
CID 106265494
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylazetidine
CID 106273157
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-tert-butylcyclohexan-1-amine
CID 106265793
2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 65019830
2-(furan-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 83182913
2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 65020172
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 106265387
[1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 106273588
2-(2,3-dihydro-1H-inden-5-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 65020057
2-[(4-chloro-2-nitrophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 65020282

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 106273551) is 2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine is NC1(Cc2c(F)ccc(Br)c2F)CC2CCC1C2.
What is the InChIKey of 2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is CSSULVJOEXCRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2N/c15-11-3-4-12(16)10(13(11)17)7-14(18)6-8-1-2-9(14)5-8/h3-4,8-9H,1-2,5-7,18H2.
What are the key properties of 2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 316.19 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 106273551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).