(1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine

C11H16F2N2O — CID 171215718

IUPAC(1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine
SMILESCOc1ccc(F)c([C@H](N)CCCN)c1F
InChIInChI=1S/C11H16F2N2O/c1-16-9-5-4-7(12)10(11(9)13)8(15)3-2-6-14/h4-5,8H,2-3,6,14-15H2,1H3/t8-/m1/s1
InChIKeyICCSWJNNPNUPNF-MRVPVSSYSA-N
MW230.26 g/mol
LogP1.71
Rot. Bonds5

About (1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine

(1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine (PubChem CID 171215718) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is (1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine.

Molecular Properties

Compound Name(1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine
PubChem CID171215718
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine
SMILESCOc1ccc(F)c([C@H](N)CCCN)c1F
InChIInChI=1S/C11H16F2N2O/c1-16-9-5-4-7(12)10(11(9)13)8(15)3-2-6-14/h4-5,8H,2-3,6,14-15H2,1H3/t8-/m1/s1
InChIKeyICCSWJNNPNUPNF-MRVPVSSYSA-N
XLogP1.71
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171235352
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine
CID 171215725
(1S)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine;hydrochloride
CID 171235359
(1R)-1-(2,6-difluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171215754
1-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 55272050
(1R)-1-(2,3,6-trifluorophenyl)pentane-1,5-diamine
CID 171205092
(1S)-2-cyclopropyl-1-(2,6-difluoro-3-methoxyphenyl)ethanamine;hydrochloride
CID 171235369
(3R)-3-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 124514694
(2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile
CID 130625977
(1S)-1-(2,6-difluoro-3-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171229550
ethyl (3S)-3-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoate
CID 171235397
(1S)-1-(2-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171225266

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine?
The IUPAC name of (1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine (CID 171215718) is (1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine.
What is the SMILES notation for (1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine?
The canonical SMILES for (1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine is COc1ccc(F)c([C@H](N)CCCN)c1F.
What is the InChIKey of (1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine?
The InChIKey is ICCSWJNNPNUPNF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-16-9-5-4-7(12)10(11(9)13)8(15)3-2-6-14/h4-5,8H,2-3,6,14-15H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine?
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine has a molecular weight of 230.26 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine is sourced from PubChem (CID 171215718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).