N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine

C15H22BrNO — CID 792004

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
SMILESCOc1ccc(Br)cc1CNC1CCCCCC1
InChIInChI=1S/C15H22BrNO/c1-18-15-9-8-13(16)10-12(15)11-17-14-6-4-2-3-5-7-14/h8-10,14,17H,2-7,11H2,1H3
InChIKeyJCVNKZFGXXFSNK-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.27
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine

N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine (PubChem CID 792004) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
PubChem CID792004
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
SMILESCOc1ccc(Br)cc1CNC1CCCCCC1
InChIInChI=1S/C15H22BrNO/c1-18-15-9-8-13(16)10-12(15)11-17-14-6-4-2-3-5-7-14/h8-10,14,17H,2-7,11H2,1H3
InChIKeyJCVNKZFGXXFSNK-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
CID 63360472
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dioxothian-3-amine
CID 63924079
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]cycloheptanamine
CID 791926
1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224255
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 4720524
N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine
CID 29227748
N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331537
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine;hydrobromide
CID 75531363
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397106

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine (CID 792004) is N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine is COc1ccc(Br)cc1CNC1CCCCCC1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine?
The InChIKey is JCVNKZFGXXFSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-18-15-9-8-13(16)10-12(15)11-17-14-6-4-2-3-5-7-14/h8-10,14,17H,2-7,11H2,1H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine?
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine has a molecular weight of 312.25 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine is sourced from PubChem (CID 792004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).