N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine

C18H29FN2O — CID 10244782

IUPACN-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine
SMILESCCCCCCCCNCC/C(=N/OC)c1ccc(F)cc1
InChIInChI=1S/C18H29FN2O/c1-3-4-5-6-7-8-14-20-15-13-18(21-22-2)16-9-11-17(19)12-10-16/h9-12,20H,3-8,13-15H2,1-2H3/b21-18-
InChIKeyBCBONGUMMXXBAF-UZYVYHOESA-N
MW308.44 g/mol
LogP4.52
Rot. Bonds12

About N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine

N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine (PubChem CID 10244782) has the molecular formula C18H29FN2O and a molecular weight of 308.44 g/mol. Its IUPAC name is N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine.

Molecular Properties

Compound NameN-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine
PubChem CID10244782
Molecular FormulaC18H29FN2O
Molecular Weight308.44 g/mol
Exact Mass308.23
IUPAC NameN-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine
SMILESCCCCCCCCNCC/C(=N/OC)c1ccc(F)cc1
InChIInChI=1S/C18H29FN2O/c1-3-4-5-6-7-8-14-20-15-13-18(21-22-2)16-9-11-17(19)12-10-16/h9-12,20H,3-8,13-15H2,1-2H3/b21-18-
InChIKeyBCBONGUMMXXBAF-UZYVYHOESA-N
XLogP4.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octadecan-1-amine
CID 10253126
N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine
CID 10106253
N-methoxy-1-phenylhexan-1-imine
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3-(butylamino)propyl 4-fluorobenzoate
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1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride
CID 19892143
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
4-fluoro-N-heptylaniline
CID 43129312
(E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine
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N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine
CID 10088401

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine?
The IUPAC name of N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine (CID 10244782) is N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine.
What is the SMILES notation for N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine?
The canonical SMILES for N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine is CCCCCCCCNCC/C(=N/OC)c1ccc(F)cc1.
What is the InChIKey of N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine?
The InChIKey is BCBONGUMMXXBAF-UZYVYHOESA-N. The full InChI is InChI=1S/C18H29FN2O/c1-3-4-5-6-7-8-14-20-15-13-18(21-22-2)16-9-11-17(19)12-10-16/h9-12,20H,3-8,13-15H2,1-2H3/b21-18-.
What are the key properties of N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine?
N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine has a molecular weight of 308.44 g/mol, XLogP of 4.52, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine is sourced from PubChem (CID 10244782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).