4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol

C14H21FN2O2 — CID 106120262

IUPAC4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
SMILESCOc1cc(NCC2CCC(O)CC2)c(F)cc1N
InChIInChI=1S/C14H21FN2O2/c1-19-14-7-13(11(15)6-12(14)16)17-8-9-2-4-10(18)5-3-9/h6-7,9-10,17-18H,2-5,8,16H2,1H3
InChIKeyCMFWDKGJIDQQAE-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.38
Rot. Bonds4

About 4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol

4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol (PubChem CID 106120262) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
PubChem CID106120262
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
SMILESCOc1cc(NCC2CCC(O)CC2)c(F)cc1N
InChIInChI=1S/C14H21FN2O2/c1-19-14-7-13(11(15)6-12(14)16)17-8-9-2-4-10(18)5-3-9/h6-7,9-10,17-18H,2-5,8,16H2,1H3
InChIKeyCMFWDKGJIDQQAE-UHFFFAOYSA-N
XLogP2.38
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-4-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120140
4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120184
1-N-[(2,2-dimethylcyclopropyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 114107445
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259258
1-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259201
4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
CID 107259327
[1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol
CID 107259483
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol
CID 106120053
2-N-(cyclobutylmethyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001680
4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120121
1-N-(2,6-dimethylpiperidin-1-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259506

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol (CID 106120262) is 4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol is COc1cc(NCC2CCC(O)CC2)c(F)cc1N.
What is the InChIKey of 4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol?
The InChIKey is CMFWDKGJIDQQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-19-14-7-13(11(15)6-12(14)16)17-8-9-2-4-10(18)5-3-9/h6-7,9-10,17-18H,2-5,8,16H2,1H3.
What are the key properties of 4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol?
4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol has a molecular weight of 268.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106120262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).