(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine

C11H17FN2 — CID 171204011

IUPAC(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
SMILESCc1ccc(F)c([C@H](N)CCCN)c1
InChIInChI=1S/C11H17FN2/c1-8-4-5-10(12)9(7-8)11(14)3-2-6-13/h4-5,7,11H,2-3,6,13-14H2,1H3/t11-/m1/s1
InChIKeyAPYVOBVSHYCQJG-LLVKDONJSA-N
MW196.27 g/mol
LogP1.87
Rot. Bonds4

About (1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine

(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine (PubChem CID 171204011) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
PubChem CID171204011
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
SMILESCc1ccc(F)c([C@H](N)CCCN)c1
InChIInChI=1S/C11H17FN2/c1-8-4-5-10(12)9(7-8)11(14)3-2-6-13/h4-5,7,11H,2-3,6,13-14H2,1H3/t11-/m1/s1
InChIKeyAPYVOBVSHYCQJG-LLVKDONJSA-N
XLogP1.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
CID 171204045
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749
(1S)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171223608
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171204036
N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine
CID 79086739
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204037
(1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171235808
(1R)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171216174
3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 62790891
(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine?
The IUPAC name of (1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine (CID 171204011) is (1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine.
What is the SMILES notation for (1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine?
The canonical SMILES for (1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine is Cc1ccc(F)c([C@H](N)CCCN)c1.
What is the InChIKey of (1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine?
The InChIKey is APYVOBVSHYCQJG-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17FN2/c1-8-4-5-10(12)9(7-8)11(14)3-2-6-13/h4-5,7,11H,2-3,6,13-14H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine?
(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine has a molecular weight of 196.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine is sourced from PubChem (CID 171204011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).