5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine

C14H21ClFN3 — CID 103553200

IUPAC5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine
SMILESCCC1CCCC(Nc2c(N)cc(N)c(Cl)c2F)C1
InChIInChI=1S/C14H21ClFN3/c1-2-8-4-3-5-9(6-8)19-14-11(18)7-10(17)12(15)13(14)16/h7-9,19H,2-6,17-18H2,1H3
InChIKeyVPCLXKRSRYZAFU-UHFFFAOYSA-N
MW285.79 g/mol
LogP4.02
Rot. Bonds3

About 5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine

5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine (PubChem CID 103553200) has the molecular formula C14H21ClFN3 and a molecular weight of 285.79 g/mol. Its IUPAC name is 5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine.

Molecular Properties

Compound Name5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine
PubChem CID103553200
Molecular FormulaC14H21ClFN3
Molecular Weight285.79 g/mol
Exact Mass285.14
IUPAC Name5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine
SMILESCCC1CCCC(Nc2c(N)cc(N)c(Cl)c2F)C1
InChIInChI=1S/C14H21ClFN3/c1-2-8-4-3-5-9(6-8)19-14-11(18)7-10(17)12(15)13(14)16/h7-9,19H,2-6,17-18H2,1H3
InChIKeyVPCLXKRSRYZAFU-UHFFFAOYSA-N
XLogP4.02
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-fluoro-1-N-(3-methylcyclohexyl)benzene-1,2,4-triamine
CID 103552657
5-chloro-1-N-cycloheptyl-6-fluorobenzene-1,2,4-triamine
CID 103552637
5-chloro-6-fluoro-1-N-(thian-3-yl)benzene-1,2,4-triamine
CID 103553492
5-chloro-1-N-(1,2-dimethylpiperidin-4-yl)-6-fluorobenzene-1,2,4-triamine
CID 103553346
5-chloro-1-N-cyclohex-3-en-1-yl-6-fluorobenzene-1,2,4-triamine
CID 103553239
8-N-(3-ethylcyclohexyl)-7-fluoroquinoline-5,8-diamine
CID 83166347
1-N-(3-ethylcyclohexyl)-2-fluorobenzene-1,4-diamine
CID 64749014
1-N-(3-ethylcyclohexyl)-3,5-difluorobenzene-1,2-diamine
CID 115507062
1-N-(3-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259325
2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline
CID 104726174
5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine
CID 106007183
1-N-(3-ethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 64748812

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine?
The IUPAC name of 5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine (CID 103553200) is 5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine.
What is the SMILES notation for 5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine?
The canonical SMILES for 5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine is CCC1CCCC(Nc2c(N)cc(N)c(Cl)c2F)C1.
What is the InChIKey of 5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine?
The InChIKey is VPCLXKRSRYZAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN3/c1-2-8-4-3-5-9(6-8)19-14-11(18)7-10(17)12(15)13(14)16/h7-9,19H,2-6,17-18H2,1H3.
What are the key properties of 5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine?
5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine has a molecular weight of 285.79 g/mol, XLogP of 4.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-N-(3-ethylcyclohexyl)-6-fluorobenzene-1,2,4-triamine is sourced from PubChem (CID 103553200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).