1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine

C17H26Cl2N2 — CID 79062523

IUPAC1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCNC(c1cc(Cl)ccc1Cl)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H26Cl2N2/c1-4-20-16(14-12-13(18)8-9-15(14)19)17(21(2)3)10-6-5-7-11-17/h8-9,12,16,20H,4-7,10-11H2,1-3H3
InChIKeyYGIDBKLHWHRWAR-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.91
Rot. Bonds5

About 1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine

1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79062523) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79062523
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC Name1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCNC(c1cc(Cl)ccc1Cl)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H26Cl2N2/c1-4-20-16(14-12-13(18)8-9-15(14)19)17(21(2)3)10-6-5-7-11-17/h8-9,12,16,20H,4-7,10-11H2,1-3H3
InChIKeyYGIDBKLHWHRWAR-UHFFFAOYSA-N
XLogP4.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066890
1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 107884906
[(2,5-dichlorophenyl)-(1-ethylcyclopentyl)methyl]hydrazine
CID 105302035
1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 104738479
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065926
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107177444
1-[(3-bromo-2-fluorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106645829
1-[ethylamino-(4-propylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058158
N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177443
N-[(2-chloro-4,5-difluorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 107476482

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79062523) is 1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine is CCNC(c1cc(Cl)ccc1Cl)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is YGIDBKLHWHRWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-4-20-16(14-12-13(18)8-9-15(14)19)17(21(2)3)10-6-5-7-11-17/h8-9,12,16,20H,4-7,10-11H2,1-3H3.
What are the key properties of 1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 329.31 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79062523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).