1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine

C9H12ClFN2O — CID 66517708

IUPAC1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(C(N)CN)c(F)cc1Cl
InChIInChI=1S/C9H12ClFN2O/c1-14-9-2-5(8(13)4-12)7(11)3-6(9)10/h2-3,8H,4,12-13H2,1H3
InChIKeyXNCPNVIEFLGZFZ-UHFFFAOYSA-N
MW218.66 g/mol
LogP1.45
Rot. Bonds3

About 1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine

1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine (PubChem CID 66517708) has the molecular formula C9H12ClFN2O and a molecular weight of 218.66 g/mol. Its IUPAC name is 1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
PubChem CID66517708
Molecular FormulaC9H12ClFN2O
Molecular Weight218.66 g/mol
Exact Mass218.06
IUPAC Name1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(C(N)CN)c(F)cc1Cl
InChIInChI=1S/C9H12ClFN2O/c1-14-9-2-5(8(13)4-12)7(11)3-6(9)10/h2-3,8H,4,12-13H2,1H3
InChIKeyXNCPNVIEFLGZFZ-UHFFFAOYSA-N
XLogP1.45
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluoro-5-methoxyphenyl)butan-1-amine
CID 83988368
4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol
CID 77131047
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171213964
2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol
CID 84811979
2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid
CID 83895316
1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894016
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 82782889
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224876

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine (CID 66517708) is 1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine is COc1cc(C(N)CN)c(F)cc1Cl.
What is the InChIKey of 1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is XNCPNVIEFLGZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O/c1-14-9-2-5(8(13)4-12)7(11)3-6(9)10/h2-3,8H,4,12-13H2,1H3.
What are the key properties of 1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine?
1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 218.66 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66517708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).