4-(2-fluoro-4-methoxyphenyl)pentan-2-amine

C12H18FNO — CID 83909628

IUPAC4-(2-fluoro-4-methoxyphenyl)pentan-2-amine
SMILESCOc1ccc(C(C)CC(C)N)c(F)c1
InChIInChI=1S/C12H18FNO/c1-8(6-9(2)14)11-5-4-10(15-3)7-12(11)13/h4-5,7-9H,6,14H2,1-3H3
InChIKeyMQKMMRROTXYHBY-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.68
Rot. Bonds4

About 4-(2-fluoro-4-methoxyphenyl)pentan-2-amine

4-(2-fluoro-4-methoxyphenyl)pentan-2-amine (PubChem CID 83909628) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)pentan-2-amine.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)pentan-2-amine
PubChem CID83909628
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-(2-fluoro-4-methoxyphenyl)pentan-2-amine
SMILESCOc1ccc(C(C)CC(C)N)c(F)c1
InChIInChI=1S/C12H18FNO/c1-8(6-9(2)14)11-5-4-10(15-3)7-12(11)13/h4-5,7-9H,6,14H2,1-3H3
InChIKeyMQKMMRROTXYHBY-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-dimethoxyphenyl)pentan-2-amine
CID 64720069
(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171219623
(1S,2R)-1-amino-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-2-ol
CID 171161424
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
(1R)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine
CID 171200097
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860
(1S)-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219626
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine
CID 117306605
1-(1-chloro-3-methylbutyl)-2-fluoro-4-methoxybenzene
CID 61083473
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 43561226
2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561288

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)pentan-2-amine?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)pentan-2-amine (CID 83909628) is 4-(2-fluoro-4-methoxyphenyl)pentan-2-amine.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)pentan-2-amine?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)pentan-2-amine is COc1ccc(C(C)CC(C)N)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)pentan-2-amine?
The InChIKey is MQKMMRROTXYHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8(6-9(2)14)11-5-4-10(15-3)7-12(11)13/h4-5,7-9H,6,14H2,1-3H3.
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)pentan-2-amine?
4-(2-fluoro-4-methoxyphenyl)pentan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)pentan-2-amine is sourced from PubChem (CID 83909628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).