[1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol

C15H21FN2O3 — CID 103966376

IUPAC[1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol
SMILESO=[N+]([O-])c1ccc(F)cc1CNCC1(CO)CCCCC1
InChIInChI=1S/C15H21FN2O3/c16-13-4-5-14(18(20)21)12(8-13)9-17-10-15(11-19)6-2-1-3-7-15/h4-5,8,17,19H,1-3,6-7,9-11H2
InChIKeyQSQYXHPAFULNHM-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.77
Rot. Bonds6

About [1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol

[1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 103966376) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is [1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol
PubChem CID103966376
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name[1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol
SMILESO=[N+]([O-])c1ccc(F)cc1CNCC1(CO)CCCCC1
InChIInChI=1S/C15H21FN2O3/c16-13-4-5-14(18(20)21)12(8-13)9-17-10-15(11-19)6-2-1-3-7-15/h4-5,8,17,19H,1-3,6-7,9-11H2
InChIKeyQSQYXHPAFULNHM-UHFFFAOYSA-N
XLogP2.77
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[[(5-chloro-2-nitrophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479404
[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 112697662
N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine
CID 43443488
[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine
CID 65394864
1-[(5-fluoro-2-nitrophenyl)methyl]cyclohexane-1-carboxylic acid
CID 62739549
[1-[[(2-bromo-4-nitrophenyl)methylamino]methyl]cyclopentyl]methanol
CID 115359594
N-[(2,5-difluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 63796050
N-[(5-fluoro-2-nitrophenyl)methyl]-1-phenylmethanamine
CID 43443505
N'-[(5-fluoro-2-nitrophenyl)methyl]propane-1,3-diamine
CID 62275208
1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol
CID 65110529
1-[(5-fluoro-2-nitroanilino)methyl]cycloheptan-1-ol
CID 65122641
1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutan-1-amine
CID 65196630

Frequently Asked Questions

What is the IUPAC name of [1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol (CID 103966376) is [1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol is O=[N+]([O-])c1ccc(F)cc1CNCC1(CO)CCCCC1.
What is the InChIKey of [1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is QSQYXHPAFULNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c16-13-4-5-14(18(20)21)12(8-13)9-17-10-15(11-19)6-2-1-3-7-15/h4-5,8,17,19H,1-3,6-7,9-11H2.
What are the key properties of [1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol?
[1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 296.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103966376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).