N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine

C17H25Br2NO — CID 43220867

IUPACN-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCCOc1c(Br)cc(CNC2CCCC(C)C2C)cc1Br
InChIInChI=1S/C17H25Br2NO/c1-4-21-17-14(18)8-13(9-15(17)19)10-20-16-7-5-6-11(2)12(16)3/h8-9,11-12,16,20H,4-7,10H2,1-3H3
InChIKeyZTCMUFDMGKRYPX-UHFFFAOYSA-N
MW419.20 g/mol
LogP5.52
Rot. Bonds5

About N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine

N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 43220867) has the molecular formula C17H25Br2NO and a molecular weight of 419.20 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID43220867
Molecular FormulaC17H25Br2NO
Molecular Weight419.20 g/mol
Exact Mass417.03
IUPAC NameN-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
SMILESCCOc1c(Br)cc(CNC2CCCC(C)C2C)cc1Br
InChIInChI=1S/C17H25Br2NO/c1-4-21-17-14(18)8-13(9-15(17)19)10-20-16-7-5-6-11(2)12(16)3/h8-9,11-12,16,20H,4-7,10H2,1-3H3
InChIKeyZTCMUFDMGKRYPX-UHFFFAOYSA-N
XLogP5.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.20
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-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-[(3,5-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 60788665
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 62961301
4-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62319975
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]oxan-3-amine
CID 55188959
N-[(3,4-dichlorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43081867
N-[(3,5-dibromo-2-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 113393642
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63463735
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 55454593
(1S,2S,3R)-2,3-dimethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 11923056
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64763111
(1R,2R,3R)-N-[(4-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 11920641
4-[[(2,3-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 43179140

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine (CID 43220867) is N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine is CCOc1c(Br)cc(CNC2CCCC(C)C2C)cc1Br.
What is the InChIKey of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is ZTCMUFDMGKRYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Br2NO/c1-4-21-17-14(18)8-13(9-15(17)19)10-20-16-7-5-6-11(2)12(16)3/h8-9,11-12,16,20H,4-7,10H2,1-3H3.
What are the key properties of N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine?
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 419.20 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43220867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).