1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol

C14H22FNO2 — CID 114229232

IUPAC1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol
SMILESCOC(C)(C)C(O)CCN(C)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-14(2,18-4)13(17)9-10-16(3)12-7-5-11(15)6-8-12/h5-8,13,17H,9-10H2,1-4H3
InChIKeyWSYXSTGJOAHRDE-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.44
Rot. Bonds6

About 1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol

1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol (PubChem CID 114229232) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol
PubChem CID114229232
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol
SMILESCOC(C)(C)C(O)CCN(C)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-14(2,18-4)13(17)9-10-16(3)12-7-5-11(15)6-8-12/h5-8,13,17H,9-10H2,1-4H3
InChIKeyWSYXSTGJOAHRDE-UHFFFAOYSA-N
XLogP2.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645224
4-fluoro-N-methyl-N-propylaniline
CID 23197529
1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62644528
1-(4-fluorophenyl)sulfonyl-3-methoxy-3-methylbutan-2-ol
CID 114228870
4-(4-fluoro-N-methylanilino)-2-(4-methoxycarbonylphenyl)butanoic acid
CID 155929457
N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 65247212
1-(2,4-difluorophenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197177
1-(5-fluoro-2-pyridinyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 83111517
ethyl 2-(ethylamino)-4-(4-fluoro-N-methylanilino)butanoate
CID 63054507
N-butyl-4-fluoro-N-methylaniline
CID 70573878
4-(4-fluoro-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
CID 64789532
5-(4-fluoro-N-methylanilino)-4-hydroxypentanoic acid
CID 115122614

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol?
The IUPAC name of 1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol (CID 114229232) is 1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol.
What is the SMILES notation for 1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol?
The canonical SMILES for 1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol is COC(C)(C)C(O)CCN(C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol?
The InChIKey is WSYXSTGJOAHRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-14(2,18-4)13(17)9-10-16(3)12-7-5-11(15)6-8-12/h5-8,13,17H,9-10H2,1-4H3.
What are the key properties of 1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol?
1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol has a molecular weight of 255.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-N-methylanilino)-4-methoxy-4-methylpentan-3-ol is sourced from PubChem (CID 114229232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).