N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine

C20H29ClFN — CID 153338470

IUPACN-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine
SMILESFc1cccc(Cl)c1C1CCC(CCNC2CCCCC2)CC1
InChIInChI=1S/C20H29ClFN/c21-18-7-4-8-19(22)20(18)16-11-9-15(10-12-16)13-14-23-17-5-2-1-3-6-17/h4,7-8,15-17,23H,1-3,5-6,9-14H2
InChIKeyCCECJZXWZKZFSL-UHFFFAOYSA-N
MW337.91 g/mol
LogP6.07
Rot. Bonds5

About N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine

N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine (PubChem CID 153338470) has the molecular formula C20H29ClFN and a molecular weight of 337.91 g/mol. Its IUPAC name is N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine
PubChem CID153338470
Molecular FormulaC20H29ClFN
Molecular Weight337.91 g/mol
Exact Mass337.20
IUPAC NameN-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine
SMILESFc1cccc(Cl)c1C1CCC(CCNC2CCCCC2)CC1
InChIInChI=1S/C20H29ClFN/c21-18-7-4-8-19(22)20(18)16-11-9-15(10-12-16)13-14-23-17-5-2-1-3-6-17/h4,7-8,15-17,23H,1-3,5-6,9-14H2
InChIKeyCCECJZXWZKZFSL-UHFFFAOYSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.91
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(RS/SR)-2-[1-(4-chlorophenyl)pentyl]piperidine
CID 16102753
(RS/SR)-2-[1-(4-chlorophenyl)hexyl]piperidine
CID 16102754
[(E)-3-(3-Chloro-4-cyclohexyl-phenyl)-allyl]-cyclohexyl-ethyl-amine
CID 6439331
N-(3-(4-chlorophenyl)-3-(4-fluorophenyl)propyl)-1-methylpiperidin-4-amine
CID 17584926
1-(2-(2-Chlorophenyl)-1-(3-fluorophenyl)ethyl)piperazine
CID 44414690
1-(2-(2-Chlorophenyl)-1-(4-fluorophenyl)ethyl)piperazine
CID 44414692
1-(2-(2-Chlorophenyl)-1-(2-fluorophenyl)ethyl)piperazine
CID 44414762
(1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1-aminium; 2,2,2-trifluoroacetate
CID 91895870
(RR/SS)-2-[1-(4-chlorophenyl)-3-methylbutyl]piperodine
CID 11499957
(RR/SS)-2-[1-(3-chlorophenyl)-3-methylbutyl]piperidine
CID 11499958
N-benzhydryl-N-(2-chloro-6-fluorobenzyl)amine
CID 11948819
(RR/SS)-2-[1-(4-chlorophenyl)-4-methylpentyl]piperidine
CID 16102755

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine?
The IUPAC name of N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine (CID 153338470) is N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine?
The canonical SMILES for N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine is Fc1cccc(Cl)c1C1CCC(CCNC2CCCCC2)CC1.
What is the InChIKey of N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine?
The InChIKey is CCECJZXWZKZFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClFN/c21-18-7-4-8-19(22)20(18)16-11-9-15(10-12-16)13-14-23-17-5-2-1-3-6-17/h4,7-8,15-17,23H,1-3,5-6,9-14H2.
What are the key properties of N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine?
N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine has a molecular weight of 337.91 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine is sourced from PubChem (CID 153338470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).