2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine

C14H19ClFN3 — CID 146728761

IUPAC2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine
SMILESCC(C)(C)C(N)=C/C(CN)=N/c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFN3/c1-14(2,3)13(18)7-10(8-17)19-9-4-5-12(16)11(15)6-9/h4-7H,8,17-18H2,1-3H3/b13-7?,19-10-
InChIKeyZKXFVCDXGNKTBU-JCPNNSFWSA-N
MW283.78 g/mol
LogP3.40
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine

2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine (PubChem CID 146728761) has the molecular formula C14H19ClFN3 and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine
PubChem CID146728761
Molecular FormulaC14H19ClFN3
Molecular Weight283.78 g/mol
Exact Mass283.13
IUPAC Name2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine
SMILESCC(C)(C)C(N)=C/C(CN)=N/c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFN3/c1-14(2,3)13(18)7-10(8-17)19-9-4-5-12(16)11(15)6-9/h4-7H,8,17-18H2,1-3H3/b13-7?,19-10-
InChIKeyZKXFVCDXGNKTBU-JCPNNSFWSA-N
XLogP3.40
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
CID 169369617
1-N'-(3-chloro-4-fluorophenyl)-3-N'-methyl-2-methyliminopropanediimidamide
CID 118983766
(E)-3-amino-N'-(3,4-dichlorophenyl)-3-(dimethylamino)prop-2-enimidamide
CID 67556034
N'-(3-chloro-4-fluorophenyl)-5-methyl-1,2-oxazole-3-carboximidamide
CID 89291608
2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide
CID 169364929
N'-(4-bromo-3-chlorophenyl)-2,2-dimethylpropanimidamide
CID 107617114
1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol
CID 103039133
methyl N-(3-chloro-4-fluorophenyl)-2-nitroethanimidothioate
CID 123761179
3-(3-chloro-4-fluoroanilino)-2-methylpropanethioamide
CID 82086359
S-[[2-[[N'-(3-chloro-4-fluorophenyl)carbamimidoyl]sulfanylmethyl]phenyl]methyl] carbamothioate;hydrobromide
CID 142560569
5-(5-chloro-3-fluoro-2-pyridinyl)-4-(3,4-difluorophenyl)imino-1,1-difluoropent-2-en-2-amine
CID 175628777
1-N-(3-chloro-4-fluorophenyl)-2-methylpropane-1,2-diamine
CID 83705089

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine (CID 146728761) is 2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine is CC(C)(C)C(N)=C/C(CN)=N/c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine?
The InChIKey is ZKXFVCDXGNKTBU-JCPNNSFWSA-N. The full InChI is InChI=1S/C14H19ClFN3/c1-14(2,3)13(18)7-10(8-17)19-9-4-5-12(16)11(15)6-9/h4-7H,8,17-18H2,1-3H3/b13-7?,19-10-.
What are the key properties of 2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine?
2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine has a molecular weight of 283.78 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)imino-5,5-dimethylhex-3-ene-1,4-diamine is sourced from PubChem (CID 146728761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).