N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine

C14H20BrNO2 — CID 29227748

IUPACN-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine
SMILESCOc1cc(Br)cc(CNC2CCCC2)c1OC
InChIInChI=1S/C14H20BrNO2/c1-17-13-8-11(15)7-10(14(13)18-2)9-16-12-5-3-4-6-12/h7-8,12,16H,3-6,9H2,1-2H3
InChIKeyLLVLNJPOQRULHB-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.50
Rot. Bonds5

About N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine

N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine (PubChem CID 29227748) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine
PubChem CID29227748
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine
SMILESCOc1cc(Br)cc(CNC2CCCC2)c1OC
InChIInChI=1S/C14H20BrNO2/c1-17-13-8-11(15)7-10(14(13)18-2)9-16-12-5-3-4-6-12/h7-8,12,16H,3-6,9H2,1-2H3
InChIKeyLLVLNJPOQRULHB-UHFFFAOYSA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]cyclohexanamine
CID 17156891
N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine
CID 4719896
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
N-[(5-bromo-2,4-dimethoxyphenyl)methyl]cycloheptanamine
CID 791926
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine
CID 787242
N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclooctanamine
CID 29225030
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclopentanamine
CID 119123293
N-[(2,4,5-trimethoxyphenyl)methyl]cycloheptanamine;hydrobromide
CID 75531363
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1,1-dioxothian-3-amine
CID 63922914

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine (CID 29227748) is N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine is COc1cc(Br)cc(CNC2CCCC2)c1OC.
What is the InChIKey of N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine?
The InChIKey is LLVLNJPOQRULHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-17-13-8-11(15)7-10(14(13)18-2)9-16-12-5-3-4-6-12/h7-8,12,16H,3-6,9H2,1-2H3.
What are the key properties of N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine?
N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine has a molecular weight of 314.22 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 29227748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).