4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine

C13H19FN2O — CID 114838536

IUPAC4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine
SMILESCOc1cc(NC2CCC(N)CC2)ccc1F
InChIInChI=1S/C13H19FN2O/c1-17-13-8-11(6-7-12(13)14)16-10-4-2-9(15)3-5-10/h6-10,16H,2-5,15H2,1H3
InChIKeyIBDFAHHCWJPPOA-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.52
Rot. Bonds3

About 4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine

4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine (PubChem CID 114838536) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine
PubChem CID114838536
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine
SMILESCOc1cc(NC2CCC(N)CC2)ccc1F
InChIInChI=1S/C13H19FN2O/c1-17-13-8-11(6-7-12(13)14)16-10-4-2-9(15)3-5-10/h6-10,16H,2-5,15H2,1H3
InChIKeyIBDFAHHCWJPPOA-UHFFFAOYSA-N
XLogP2.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)thian-4-amine
CID 114837670
methyl 5-[(4-aminocyclohexyl)amino]-2-fluorobenzoate
CID 79730467
N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine
CID 114838333
3-fluoro-4-methoxy-N-(4-methylcyclohexyl)aniline
CID 43380637
4-fluoro-3-methoxy-N-[3-(2-methylpropyl)cyclohexyl]aniline
CID 107428829
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine
CID 79461999
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
N-cyclopropyl-4-fluoro-3-methylaniline
CID 83694970
4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
CID 63672291
3-[(4-aminocyclohexyl)amino]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 137335645
3-(4-fluoro-3-methoxyanilino)pyrrolidin-2-one
CID 126782179

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine (CID 114838536) is 4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine is COc1cc(NC2CCC(N)CC2)ccc1F.
What is the InChIKey of 4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine?
The InChIKey is IBDFAHHCWJPPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-13-8-11(6-7-12(13)14)16-10-4-2-9(15)3-5-10/h6-10,16H,2-5,15H2,1H3.
What are the key properties of 4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine?
4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine has a molecular weight of 238.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 114838536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).