1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine

C16H23Cl2N — CID 70921617

IUPAC1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(Cc2ccc(Cl)cc2Cl)(N(C)C)CC1
InChIInChI=1S/C16H23Cl2N/c1-12-6-8-16(9-7-12,19(2)3)11-13-4-5-14(17)10-15(13)18/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyBKQQDQNISKBPKW-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.05
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine

1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 70921617) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID70921617
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(Cc2ccc(Cl)cc2Cl)(N(C)C)CC1
InChIInChI=1S/C16H23Cl2N/c1-12-6-8-16(9-7-12,19(2)3)11-13-4-5-14(17)10-15(13)18/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyBKQQDQNISKBPKW-UHFFFAOYSA-N
XLogP5.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63407778
1-(chloromethyl)-N-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65030140
1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 79333265
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64753224
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 65154379
2-(2,4-dichlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 116749468
1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55186388
2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63408216
1-[(2,4-dichlorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65424709
2-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrrolidine
CID 66468111
[2-(2,4-dichlorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277164

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine (CID 70921617) is 1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine is CC1CCC(Cc2ccc(Cl)cc2Cl)(N(C)C)CC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is BKQQDQNISKBPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-12-6-8-16(9-7-12,19(2)3)11-13-4-5-14(17)10-15(13)18/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 300.27 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 70921617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).