1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine

C15H21Cl2N — CID 55194513

IUPAC1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(Cl)cc2Cl)CCCCC1
InChIInChI=1S/C15H21Cl2N/c1-18-11-15(7-3-2-4-8-15)10-12-5-6-13(16)9-14(12)17/h5-6,9,18H,2-4,7-8,10-11H2,1H3
InChIKeyYJRRXHBVXOJVRP-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.71
Rot. Bonds4

About 1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine

1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine (PubChem CID 55194513) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
PubChem CID55194513
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(Cl)cc2Cl)CCCCC1
InChIInChI=1S/C15H21Cl2N/c1-18-11-15(7-3-2-4-8-15)10-12-5-6-13(16)9-14(12)17/h5-6,9,18H,2-4,7-8,10-11H2,1H3
InChIKeyYJRRXHBVXOJVRP-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene
CID 66051088
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
CID 66025200
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine
CID 65194915
1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62726411
1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 102858759
N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66026019
N-[[1-[(4-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 114858583
N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 55131600
1-[1-[(2-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024865
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 115363288
N-[[1-[(5-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 103049689
N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 106869506

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine (CID 55194513) is 1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine is CNCC1(Cc2ccc(Cl)cc2Cl)CCCCC1.
What is the InChIKey of 1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
The InChIKey is YJRRXHBVXOJVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-18-11-15(7-3-2-4-8-15)10-12-5-6-13(16)9-14(12)17/h5-6,9,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of 1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine has a molecular weight of 286.25 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 55194513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).