N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine

C14H19BrFN — CID 114019817

IUPACN-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine
SMILESFc1c(Br)cccc1CNC1CCCCCC1
InChIInChI=1S/C14H19BrFN/c15-13-9-5-6-11(14(13)16)10-17-12-7-3-1-2-4-8-12/h5-6,9,12,17H,1-4,7-8,10H2
InChIKeyIUDQOYNSFKYCPX-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.40
Rot. Bonds3

About N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine

N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine (PubChem CID 114019817) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine
PubChem CID114019817
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC NameN-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine
SMILESFc1c(Br)cccc1CNC1CCCCCC1
InChIInChI=1S/C14H19BrFN/c15-13-9-5-6-11(14(13)16)10-17-12-7-3-1-2-4-8-12/h5-6,9,12,17H,1-4,7-8,10H2
InChIKeyIUDQOYNSFKYCPX-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82926270
2-N-[(3-bromo-2-fluorophenyl)methyl]-1-N-cyclopropylpropane-1,2-diamine
CID 114019822
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
N-(quinoxalin-5-ylmethyl)cycloheptanamine
CID 104614220
N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953688
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 70699698
N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride
CID 167530137

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine?
The IUPAC name of N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine (CID 114019817) is N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine?
The canonical SMILES for N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine is Fc1c(Br)cccc1CNC1CCCCCC1.
What is the InChIKey of N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine?
The InChIKey is IUDQOYNSFKYCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c15-13-9-5-6-11(14(13)16)10-17-12-7-3-1-2-4-8-12/h5-6,9,12,17H,1-4,7-8,10H2.
What are the key properties of N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine?
N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine has a molecular weight of 300.21 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine is sourced from PubChem (CID 114019817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).