N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine

C16H24BrNO2 — CID 79832369

IUPACN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCOc1cc(CNC2CCCC2(C)C)cc(Br)c1OC
InChIInChI=1S/C16H24BrNO2/c1-16(2)7-5-6-14(16)18-10-11-8-12(17)15(20-4)13(9-11)19-3/h8-9,14,18H,5-7,10H2,1-4H3
InChIKeyPOCZGYRRHAAMFA-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.13
Rot. Bonds5

About N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79832369) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79832369
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC NameN-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCOc1cc(CNC2CCCC2(C)C)cc(Br)c1OC
InChIInChI=1S/C16H24BrNO2/c1-16(2)7-5-6-14(16)18-10-11-8-12(17)15(20-4)13(9-11)19-3/h8-9,14,18H,5-7,10H2,1-4H3
InChIKeyPOCZGYRRHAAMFA-UHFFFAOYSA-N
XLogP4.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866711
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861903
2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol
CID 107740899
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62360308
1-(3-bromo-4,5-dimethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735823
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 60958120
N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]adamantan-2-amine
CID 4722276
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79832215
(1S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81390961
1-(3-bromo-4,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528631
N-[(3,5-dibromo-4-methoxyphenyl)methyl]cycloheptanamine
CID 29223558

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine (CID 79832369) is N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine is COc1cc(CNC2CCCC2(C)C)cc(Br)c1OC.
What is the InChIKey of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is POCZGYRRHAAMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-16(2)7-5-6-14(16)18-10-11-8-12(17)15(20-4)13(9-11)19-3/h8-9,14,18H,5-7,10H2,1-4H3.
What are the key properties of N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 342.28 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79832369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).