(Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine

C14H18F2N2 — CID 142107326

IUPAC(Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine
SMILES[H]/N=C(C(/Cc1cc(F)cc(F)c1)=C(/C)N)\C(C)C
InChIInChI=1S/C14H18F2N2/c1-8(2)14(18)13(9(3)17)6-10-4-11(15)7-12(16)5-10/h4-5,7-8,18H,6,17H2,1-3H3/b13-9-,18-14+
InChIKeyRSUKTRSAAUBDJC-QZWVSROASA-N
MW252.31 g/mol
LogP3.42
Rot. Bonds4

About (Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine

(Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine (PubChem CID 142107326) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine
PubChem CID142107326
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine
SMILES[H]/N=C(C(/Cc1cc(F)cc(F)c1)=C(/C)N)\C(C)C
InChIInChI=1S/C14H18F2N2/c1-8(2)14(18)13(9(3)17)6-10-4-11(15)7-12(16)5-10/h4-5,7-8,18H,6,17H2,1-3H3/b13-9-,18-14+
InChIKeyRSUKTRSAAUBDJC-QZWVSROASA-N
XLogP3.42
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-1-(4-fluorophenyl)pentylideneamino]guanidine
CID 9561770
Ethanone, 1-(4-fluorophenyl)-, hydrazone
CID 9589463
1-(4-Fluorophenyl)ethylideneazanium
CID 21732119
(E)-1-(2-fluorophenyl)ethylidenehydrazine
CID 135083863
1-[4-(Trifluoromethyl)phenyl]ethylideneazanium
CID 135085394
1-[4-(Trifluoromethyl)phenyl]pentan-1-imine
CID 138967494
2-Methyl-1-phenylpropan-1-imine
CID 12734726
1-(4-Fluorophenyl)ethylidenehydrazine
CID 3086370
(Z)-1-(4-fluorophenyl)ethylidenehydrazine
CID 5748812
(NE)-N-[2-(3,4-difluorophenyl)-3-(2-methylpropyl)cyclopent-2-en-1-ylidene]hydroxylamine
CID 11615932
1-[4-(Trifluoromethyl)phenyl]ethanimine
CID 14241377
1-(4-Fluorophenyl)ethanimine
CID 16069693

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine?
The IUPAC name of (Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine (CID 142107326) is (Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine.
What is the SMILES notation for (Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine?
The canonical SMILES for (Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine is [H]/N=C(C(/Cc1cc(F)cc(F)c1)=C(/C)N)\C(C)C.
What is the InChIKey of (Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine?
The InChIKey is RSUKTRSAAUBDJC-QZWVSROASA-N. The full InChI is InChI=1S/C14H18F2N2/c1-8(2)14(18)13(9(3)17)6-10-4-11(15)7-12(16)5-10/h4-5,7-8,18H,6,17H2,1-3H3/b13-9-,18-14+.
What are the key properties of (Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine?
(Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine has a molecular weight of 252.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(3,5-difluorophenyl)methyl]-4-imino-5-methylhex-2-en-2-amine is sourced from PubChem (CID 142107326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).