N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine

C9H13FN2O — CID 114839038

IUPACN'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(NCCN)ccc1F
InChIInChI=1S/C9H13FN2O/c1-13-9-6-7(12-5-4-11)2-3-8(9)10/h2-3,6,12H,4-5,11H2,1H3
InChIKeyJZLYRUZDAZDYQN-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.20
Rot. Bonds4

About N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine

N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine (PubChem CID 114839038) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
PubChem CID114839038
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC NameN'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(NCCN)ccc1F
InChIInChI=1S/C9H13FN2O/c1-13-9-6-7(12-5-4-11)2-3-8(9)10/h2-3,6,12H,4-5,11H2,1H3
InChIKeyJZLYRUZDAZDYQN-UHFFFAOYSA-N
XLogP1.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride
CID 67609576
4-fluoro-3-methoxy-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 105022434
4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline
CID 114839538
1-chloro-3-(4-fluoro-3-methoxyanilino)propan-2-ol
CID 168636388
N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide
CID 114839602
2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide
CID 114839213
3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol
CID 114839015
4-fluoro-3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 114839278
N-[(3,4-dibromophenyl)methyl]-4-fluoro-3-methoxyaniline
CID 114838318
N-[(2-bromo-3-fluorophenyl)methyl]-4-fluoro-3-methoxyaniline
CID 114839488
N'-[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]ethane-1,2-diamine
CID 20781185
2-amino-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839711

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine (CID 114839038) is N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine is COc1cc(NCCN)ccc1F.
What is the InChIKey of N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is JZLYRUZDAZDYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-13-9-6-7(12-5-4-11)2-3-8(9)10/h2-3,6,12H,4-5,11H2,1H3.
What are the key properties of N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine?
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 184.21 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 114839038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).