1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine

C11H17FN2O — CID 165347841

IUPAC1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine
SMILESCCC(N)C(N)c1cc(F)ccc1OC
InChIInChI=1S/C11H17FN2O/c1-3-9(13)11(14)8-6-7(12)4-5-10(8)15-2/h4-6,9,11H,3,13-14H2,1-2H3
InChIKeyKSPCJWHQFPVXMC-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.57
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine

1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine (PubChem CID 165347841) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine
PubChem CID165347841
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine
SMILESCCC(N)C(N)c1cc(F)ccc1OC
InChIInChI=1S/C11H17FN2O/c1-3-9(13)11(14)8-6-7(12)4-5-10(8)15-2/h4-6,9,11H,3,13-14H2,1-2H3
InChIKeyKSPCJWHQFPVXMC-UHFFFAOYSA-N
XLogP1.57
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171268211
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride
CID 171262540
ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate
CID 171241430
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
2-(1,2-diaminobutyl)-4-fluorophenol
CID 130898716
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 116942190
(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-ol
CID 171262543
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine (CID 165347841) is 1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine is CCC(N)C(N)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine?
The InChIKey is KSPCJWHQFPVXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-3-9(13)11(14)8-6-7(12)4-5-10(8)15-2/h4-6,9,11H,3,13-14H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine?
1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine has a molecular weight of 212.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine is sourced from PubChem (CID 165347841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).