(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride

C9H14ClFN2 — CID 66517054

IUPAC(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
SMILESCc1ccc(F)cc1[C@@H](N)CN.Cl
InChIInChI=1S/C9H13FN2.ClH/c1-6-2-3-7(10)4-8(6)9(12)5-11;/h2-4,9H,5,11-12H2,1H3;1H/t9-;/m0./s1
InChIKeyDLXSWUSJLGQLFO-FVGYRXGTSA-N
MW204.68 g/mol
LogP1.51
Rot. Bonds2

About (1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride

(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 66517054) has the molecular formula C9H14ClFN2 and a molecular weight of 204.68 g/mol. Its IUPAC name is (1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
PubChem CID66517054
Molecular FormulaC9H14ClFN2
Molecular Weight204.68 g/mol
Exact Mass204.08
IUPAC Name(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
SMILESCc1ccc(F)cc1[C@@H](N)CN.Cl
InChIInChI=1S/C9H13FN2.ClH/c1-6-2-3-7(10)4-8(6)9(12)5-11;/h2-4,9H,5,11-12H2,1H3;1H/t9-;/m0./s1
InChIKeyDLXSWUSJLGQLFO-FVGYRXGTSA-N
XLogP1.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 138110336
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine
CID 171204385
2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine
CID 112562567
(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 103694276
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 62790723
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 66517614
(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224876
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine
CID 66517956
1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine
CID 130648897

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride (CID 66517054) is (1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride is Cc1ccc(F)cc1[C@@H](N)CN.Cl.
What is the InChIKey of (1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is DLXSWUSJLGQLFO-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H13FN2.ClH/c1-6-2-3-7(10)4-8(6)9(12)5-11;/h2-4,9H,5,11-12H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride?
(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 204.68 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 66517054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).