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

C14H21FN2O — CID 106120184

IUPAC4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol
SMILESCc1cc(NCC2CCC(O)CC2)c(N)cc1F
InChIInChI=1S/C14H21FN2O/c1-9-6-14(13(16)7-12(9)15)17-8-10-2-4-11(18)5-3-10/h6-7,10-11,17-18H,2-5,8,16H2,1H3
InChIKeyNBGWMSPIGYUCQZ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.68
Rot. Bonds3

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

4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol (PubChem CID 106120184) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol
PubChem CID106120184
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol
SMILESCc1cc(NCC2CCC(O)CC2)c(N)cc1F
InChIInChI=1S/C14H21FN2O/c1-9-6-14(13(16)7-12(9)15)17-8-10-2-4-11(18)5-3-10/h6-7,10-11,17-18H,2-5,8,16H2,1H3
InChIKeyNBGWMSPIGYUCQZ-UHFFFAOYSA-N
XLogP2.68
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
1-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590215
4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120262
4-[(2-amino-5-methylanilino)methyl]cyclohexan-1-ol
CID 106120121
1-N-[2-(cyclopropylmethoxy)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 114097592
4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine
CID 103590249
4-bromo-5-fluoro-2-N-[(4-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 116735930
3-[(4-amino-2-bromo-5-methylanilino)methyl]cyclopentan-1-ol
CID 114146031
1-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590423
2,5-difluoro-4-methyl-N-[(4-methylcyclohexyl)methyl]aniline
CID 103584772
N-(cyclopentylmethyl)-2,5-difluoro-4-methylaniline
CID 103584848
1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol
CID 103590481

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol (CID 106120184) is 4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol is Cc1cc(NCC2CCC(O)CC2)c(N)cc1F.
What is the InChIKey of 4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol?
The InChIKey is NBGWMSPIGYUCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9-6-14(13(16)7-12(9)15)17-8-10-2-4-11(18)5-3-10/h6-7,10-11,17-18H,2-5,8,16H2,1H3.
What are the key properties of 4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol?
4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106120184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).