N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine

C13H21FN2 — CID 107442185

IUPACN'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCc1cc(NCC(CN)C(C)C)ccc1F
InChIInChI=1S/C13H21FN2/c1-9(2)11(7-15)8-16-12-4-5-13(14)10(3)6-12/h4-6,9,11,16H,7-8,15H2,1-3H3
InChIKeyVFBZQKGSANACHB-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.78
Rot. Bonds5

About N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine

N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107442185) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID107442185
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCc1cc(NCC(CN)C(C)C)ccc1F
InChIInChI=1S/C13H21FN2/c1-9(2)11(7-15)8-16-12-4-5-13(14)10(3)6-12/h4-6,9,11,16H,7-8,15H2,1-3H3
InChIKeyVFBZQKGSANACHB-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441027
2-N-(4-fluoro-3-methylphenyl)-3-methylbutane-1,2-diamine
CID 115137867
2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine
CID 82503971
2-[(4-fluoro-3-methylanilino)methyl]-3-methylbutanoic acid
CID 115250170
N'-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107440975
2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 107440958
4-fluoro-N-(hydrazinylmethyl)-3-methylaniline
CID 115260421
N-(bromomethyl)-4-fluoro-3-methylaniline
CID 115261522
N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441751
2-propan-2-yl-N'-[4-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 107441006
N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane
CID 145194727
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzoic acid
CID 107441688

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine (CID 107442185) is N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine is Cc1cc(NCC(CN)C(C)C)ccc1F.
What is the InChIKey of N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is VFBZQKGSANACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-9(2)11(7-15)8-16-12-4-5-13(14)10(3)6-12/h4-6,9,11,16H,7-8,15H2,1-3H3.
What are the key properties of N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine?
N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107442185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).