(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride

C9H14ClFN2O — CID 171224876

IUPAC(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride
SMILESCOc1cc(F)ccc1[C@@H](N)CN.Cl
InChIInChI=1S/C9H13FN2O.ClH/c1-13-9-4-6(10)2-3-7(9)8(12)5-11;/h2-4,8H,5,11-12H2,1H3;1H/t8-;/m0./s1
InChIKeyHLWQVMAVLCKMDA-QRPNPIFTSA-N
MW220.68 g/mol
LogP1.21
Rot. Bonds3

About (1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride

(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 171224876) has the molecular formula C9H14ClFN2O and a molecular weight of 220.68 g/mol. Its IUPAC name is (1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride
PubChem CID171224876
Molecular FormulaC9H14ClFN2O
Molecular Weight220.68 g/mol
Exact Mass220.08
IUPAC Name(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride
SMILESCOc1cc(F)ccc1[C@@H](N)CN.Cl
InChIInChI=1S/C9H13FN2O.ClH/c1-13-9-4-6(10)2-3-7(9)8(12)5-11;/h2-4,8H,5,11-12H2,1H3;1H/t8-;/m0./s1
InChIKeyHLWQVMAVLCKMDA-QRPNPIFTSA-N
XLogP1.21
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171224919
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
(1S)-1-(4-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224881
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanenitrile
CID 131196533
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
ethyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171224920
methyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171243535
(1S,2R)-1-amino-1-(4-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171270199
(1R)-1-(2-bromo-4-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171220747
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
methyl (2S)-2-amino-2-(4-fluoro-2-methoxyphenyl)acetate;hydrochloride
CID 171205347

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride (CID 171224876) is (1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride is COc1cc(F)ccc1[C@@H](N)CN.Cl.
What is the InChIKey of (1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is HLWQVMAVLCKMDA-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H13FN2O.ClH/c1-13-9-4-6(10)2-3-7(9)8(12)5-11;/h2-4,8H,5,11-12H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 220.68 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171224876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).