1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine

C13H19FN2O — CID 66517845

IUPAC1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine
SMILESCc1cc(F)cc(C(N)CN)c1OCC1CC1
InChIInChI=1S/C13H19FN2O/c1-8-4-10(14)5-11(12(16)6-15)13(8)17-7-9-2-3-9/h4-5,9,12H,2-3,6-7,15-16H2,1H3
InChIKeyWKGOMVFGGHRABB-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.88
Rot. Bonds5

About 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine

1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine (PubChem CID 66517845) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine
PubChem CID66517845
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine
SMILESCc1cc(F)cc(C(N)CN)c1OCC1CC1
InChIInChI=1S/C13H19FN2O/c1-8-4-10(14)5-11(12(16)6-15)13(8)17-7-9-2-3-9/h4-5,9,12H,2-3,6-7,15-16H2,1H3
InChIKeyWKGOMVFGGHRABB-UHFFFAOYSA-N
XLogP1.88
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]ethane-1,2-diamine
CID 170894968
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
CID 170890282
1-[3-chloro-2-(cyclopropylmethoxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethane-1,2-diamine
CID 170894989
1-[3-chloro-6-(cyclopropylmethoxy)-2,4-dimethylphenyl]ethane-1,2-diamine
CID 170894962
(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]methanamine
CID 61344792
1-[2-(cyclopropylmethoxy)-5-phenylphenyl]ethane-1,2-diamine
CID 170895047
1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine
CID 61342285
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987
3-amino-3-[2-(cyclobutylmethoxy)-5-fluorophenyl]propanoic acid
CID 117421508
3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine
CID 117347326

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine?
The IUPAC name of 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine (CID 66517845) is 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine is Cc1cc(F)cc(C(N)CN)c1OCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine?
The InChIKey is WKGOMVFGGHRABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-8-4-10(14)5-11(12(16)6-15)13(8)17-7-9-2-3-9/h4-5,9,12H,2-3,6-7,15-16H2,1H3.
What are the key properties of 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine?
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine has a molecular weight of 238.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]ethane-1,2-diamine is sourced from PubChem (CID 66517845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).