N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine

C16H23Cl2N — CID 81028134

IUPACN-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N/c1-2-19-11-14-6-4-3-5-12(14)9-13-7-8-15(17)10-16(13)18/h7-8,10,12,14,19H,2-6,9,11H2,1H3
InChIKeyFTXHABOVOVSSAR-UHFFFAOYSA-N
MW300.27 g/mol
LogP4.95
Rot. Bonds5

About N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine

N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine (PubChem CID 81028134) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
PubChem CID81028134
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N/c1-2-19-11-14-6-4-3-5-12(14)9-13-7-8-15(17)10-16(13)18/h7-8,10,12,14,19H,2-6,9,11H2,1H3
InChIKeyFTXHABOVOVSSAR-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017504
N-[[2-[(2,4-dichlorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81033102
N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 114862675
1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81017170
N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033598
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 103042344
N-[[2-[(2-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028015
N-[[2-[(2-chloro-4-methylphenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 106870972
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103051816
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine
CID 81034147
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
N-[[2-[(2-chloro-3-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 115984723

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine (CID 81028134) is N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine is CCNCC1CCCCC1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine?
The InChIKey is FTXHABOVOVSSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-2-19-11-14-6-4-3-5-12(14)9-13-7-8-15(17)10-16(13)18/h7-8,10,12,14,19H,2-6,9,11H2,1H3.
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine?
N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine has a molecular weight of 300.27 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81028134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).