(NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine

C17H25FN2O — CID 24739897

IUPAC(NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine
SMILESCN(C)C(c1cccc(F)c1)C1CCC(C/C=N/O)CC1
InChIInChI=1S/C17H25FN2O/c1-20(2)17(15-4-3-5-16(18)12-15)14-8-6-13(7-9-14)10-11-19-21/h3-5,11-14,17,21H,6-10H2,1-2H3/b19-11+
InChIKeyMJTRKCKCTYJZFB-YBFXNURJSA-N
MW292.40 g/mol
LogP4.08
Rot. Bonds5

About (NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine

(NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine (PubChem CID 24739897) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is (NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine
PubChem CID24739897
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name(NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine
SMILESCN(C)C(c1cccc(F)c1)C1CCC(C/C=N/O)CC1
InChIInChI=1S/C17H25FN2O/c1-20(2)17(15-4-3-5-16(18)12-15)14-8-6-13(7-9-14)10-11-19-21/h3-5,11-14,17,21H,6-10H2,1-2H3/b19-11+
InChIKeyMJTRKCKCTYJZFB-YBFXNURJSA-N
XLogP4.08
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide
CID 66703268
3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide
CID 66702807
N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 67357717
1-cyclopropyl-2-[[2-(3-fluorophenyl)-2-hydroxyethyl]-methylamino]ethanol
CID 111858572
(NZ)-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methylidene]hydroxylamine
CID 87368985
N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 91061085
1-(3-ethylcyclopentyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 65411018
1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine
CID 173065751
N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine
CID 65423582
1-(3-fluorophenyl)-N,N-dimethyl-1-[4-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 68961115
1-(3-fluorophenyl)-1-[4-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]-N,N-dimethylmethanamine
CID 68963723
3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol
CID 24740218

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine (CID 24739897) is (NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine is CN(C)C(c1cccc(F)c1)C1CCC(C/C=N/O)CC1.
What is the InChIKey of (NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine?
The InChIKey is MJTRKCKCTYJZFB-YBFXNURJSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-20(2)17(15-4-3-5-16(18)12-15)14-8-6-13(7-9-14)10-11-19-21/h3-5,11-14,17,21H,6-10H2,1-2H3/b19-11+.
What are the key properties of (NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine?
(NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine has a molecular weight of 292.40 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine is sourced from PubChem (CID 24739897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).