4-(2-fluoro-5-methylanilino)pentan-1-ol

C12H18FNO — CID 115976054

IUPAC4-(2-fluoro-5-methylanilino)pentan-1-ol
SMILESCc1ccc(F)c(NC(C)CCCO)c1
InChIInChI=1S/C12H18FNO/c1-9-5-6-11(13)12(8-9)14-10(2)4-3-7-15/h5-6,8,10,14-15H,3-4,7H2,1-2H3
InChIKeyPDAWJYPTVBIETP-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.71
Rot. Bonds5

About 4-(2-fluoro-5-methylanilino)pentan-1-ol

4-(2-fluoro-5-methylanilino)pentan-1-ol (PubChem CID 115976054) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylanilino)pentan-1-ol.

Molecular Properties

Compound Name4-(2-fluoro-5-methylanilino)pentan-1-ol
PubChem CID115976054
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-(2-fluoro-5-methylanilino)pentan-1-ol
SMILESCc1ccc(F)c(NC(C)CCCO)c1
InChIInChI=1S/C12H18FNO/c1-9-5-6-11(13)12(8-9)14-10(2)4-3-7-15/h5-6,8,10,14-15H,3-4,7H2,1-2H3
InChIKeyPDAWJYPTVBIETP-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-dimethylanilino)pentan-1-ol
CID 115976106
4-(2-fluoroanilino)pentan-1-ol
CID 115975993
4-(4-chloro-2-methylanilino)pentan-1-ol
CID 115976044
4-(2-fluoro-3-methylanilino)pentan-1-ol
CID 115976062
(4S)-4-(4-methylanilino)pentan-1-ol
CID 94830686
N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline
CID 115923021
4-[2-fluoro-4-(trifluoromethyl)anilino]pentan-1-ol
CID 113254397
(4R)-4-(3-methylanilino)pentan-1-ol
CID 94830689
2-fluoro-4-methyl-N-octan-2-ylaniline
CID 43130115
5-chloro-2-fluoro-N-nonan-2-ylaniline
CID 43381901
2,5-difluoro-N-nonan-2-ylaniline
CID 43129763
5-bromo-2-fluoro-N-heptan-2-ylaniline
CID 43555241

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylanilino)pentan-1-ol?
The IUPAC name of 4-(2-fluoro-5-methylanilino)pentan-1-ol (CID 115976054) is 4-(2-fluoro-5-methylanilino)pentan-1-ol.
What is the SMILES notation for 4-(2-fluoro-5-methylanilino)pentan-1-ol?
The canonical SMILES for 4-(2-fluoro-5-methylanilino)pentan-1-ol is Cc1ccc(F)c(NC(C)CCCO)c1.
What is the InChIKey of 4-(2-fluoro-5-methylanilino)pentan-1-ol?
The InChIKey is PDAWJYPTVBIETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-5-6-11(13)12(8-9)14-10(2)4-3-7-15/h5-6,8,10,14-15H,3-4,7H2,1-2H3.
What are the key properties of 4-(2-fluoro-5-methylanilino)pentan-1-ol?
4-(2-fluoro-5-methylanilino)pentan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylanilino)pentan-1-ol is sourced from PubChem (CID 115976054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).