N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine

C14H21FN2O — CID 10106253

IUPACN-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine
SMILESCCC(C)NCC/C(=N/OC)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-4-11(2)16-10-9-14(17-18-3)12-5-7-13(15)8-6-12/h5-8,11,16H,4,9-10H2,1-3H3/b17-14-
InChIKeyYLWXVACFTWLYSD-VKAVYKQESA-N
MW252.33 g/mol
LogP2.95
Rot. Bonds7

About N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine

N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine (PubChem CID 10106253) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine.

Molecular Properties

Compound NameN-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine
PubChem CID10106253
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine
SMILESCCC(C)NCC/C(=N/OC)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-4-11(2)16-10-9-14(17-18-3)12-5-7-13(15)8-6-12/h5-8,11,16H,4,9-10H2,1-3H3/b17-14-
InChIKeyYLWXVACFTWLYSD-VKAVYKQESA-N
XLogP2.95
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one
CID 10376307
N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octadecan-1-amine
CID 10253126
N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]octan-1-amine
CID 10244782
3-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-one
CID 112510179
N-[(2Z)-2-(4-chlorophenyl)-2-methoxyiminoethyl]-4-fluorobenzamide
CID 21157516
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023
N-[2-(2-fluorophenoxy)ethyl]butan-2-amine
CID 2935869
3-(butan-2-ylamino)-1-phenylpropan-1-one
CID 112509787
(Z)-1-(3-fluoro-4-methylphenyl)-N,2-dimethoxyethanimine
CID 177428425
N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide
CID 7618375
N-[2-(butan-2-ylcarbamoylamino)ethyl]-4-fluorobenzamide
CID 47386650
1-(4-fluorophenyl)-N-methylpropan-1-imine
CID 142869606

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine?
The IUPAC name of N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine (CID 10106253) is N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine.
What is the SMILES notation for N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine?
The canonical SMILES for N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine is CCC(C)NCC/C(=N/OC)c1ccc(F)cc1.
What is the InChIKey of N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine?
The InChIKey is YLWXVACFTWLYSD-VKAVYKQESA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-11(2)16-10-9-14(17-18-3)12-5-7-13(15)8-6-12/h5-8,11,16H,4,9-10H2,1-3H3/b17-14-.
What are the key properties of N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine?
N-[(3Z)-3-(4-fluorophenyl)-3-methoxyiminopropyl]butan-2-amine has a molecular weight of 252.33 g/mol, XLogP of 2.95, 7 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]butan-2-amine is sourced from PubChem (CID 10106253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).