1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine

C14H22FNO — CID 115845654

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNO/c1-4-5-10(2)8-13(16)11-6-7-14(17-3)12(15)9-11/h6-7,9-10,13H,4-5,8,16H2,1-3H3
InChIKeyMUQDLIVLZZPBIV-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.66
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine

1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine (PubChem CID 115845654) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine
PubChem CID115845654
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNO/c1-4-5-10(2)8-13(16)11-6-7-14(17-3)12(15)9-11/h6-7,9-10,13H,4-5,8,16H2,1-3H3
InChIKeyMUQDLIVLZZPBIV-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine
CID 107524072
[1-(3-fluoro-4-methoxyphenyl)-3-methylhexyl]hydrazine
CID 105298243
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
3-ethyl-1-(3-fluoro-4-methoxyphenyl)pentan-1-amine
CID 105028399
ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate
CID 62941655
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171201487
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine
CID 115845367

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine (CID 115845654) is 1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine is CCCC(C)CC(N)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine?
The InChIKey is MUQDLIVLZZPBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-5-10(2)8-13(16)11-6-7-14(17-3)12(15)9-11/h6-7,9-10,13H,4-5,8,16H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine?
1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine is sourced from PubChem (CID 115845654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).