1-N-(3-fluorophenyl)hexane-1,2-diamine

C12H19FN2 — CID 83951003

IUPAC1-N-(3-fluorophenyl)hexane-1,2-diamine
SMILESCCCCC(N)CNc1cccc(F)c1
InChIInChI=1S/C12H19FN2/c1-2-3-6-11(14)9-15-12-7-4-5-10(13)8-12/h4-5,7-8,11,15H,2-3,6,9,14H2,1H3
InChIKeyNNAIVXPZKNWJCM-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.76
Rot. Bonds6

About 1-N-(3-fluorophenyl)hexane-1,2-diamine

1-N-(3-fluorophenyl)hexane-1,2-diamine (PubChem CID 83951003) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-N-(3-fluorophenyl)hexane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-fluorophenyl)hexane-1,2-diamine
PubChem CID83951003
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-N-(3-fluorophenyl)hexane-1,2-diamine
SMILESCCCCC(N)CNc1cccc(F)c1
InChIInChI=1S/C12H19FN2/c1-2-3-6-11(14)9-15-12-7-4-5-10(13)8-12/h4-5,7-8,11,15H,2-3,6,9,14H2,1H3
InChIKeyNNAIVXPZKNWJCM-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine
CID 83961389
1-N-(3-chloro-4-methylphenyl)hexane-1,2-diamine
CID 83951009
N-(2,2-difluoroethyl)-3-fluoroaniline
CID 60922269
2-N-(3-fluorophenyl)heptane-1,2-diamine
CID 65383612
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine
CID 83960594
1-(1-aminohexan-2-yl)-3-(3-fluorophenyl)urea
CID 80696545
1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine
CID 60852438
N-(3-fluorophenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 62561317
3-N-(2-ethylhexyl)benzene-1,3-diamine
CID 107819836
1-(2-ethylhexyl)-3-(3-fluorophenyl)thiourea
CID 19651728
1-(diethylamino)-3-(3-fluoroanilino)propan-2-ol
CID 60897193

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-fluorophenyl)hexane-1,2-diamine?
The IUPAC name of 1-N-(3-fluorophenyl)hexane-1,2-diamine (CID 83951003) is 1-N-(3-fluorophenyl)hexane-1,2-diamine.
What is the SMILES notation for 1-N-(3-fluorophenyl)hexane-1,2-diamine?
The canonical SMILES for 1-N-(3-fluorophenyl)hexane-1,2-diamine is CCCCC(N)CNc1cccc(F)c1.
What is the InChIKey of 1-N-(3-fluorophenyl)hexane-1,2-diamine?
The InChIKey is NNAIVXPZKNWJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-2-3-6-11(14)9-15-12-7-4-5-10(13)8-12/h4-5,7-8,11,15H,2-3,6,9,14H2,1H3.
What are the key properties of 1-N-(3-fluorophenyl)hexane-1,2-diamine?
1-N-(3-fluorophenyl)hexane-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-fluorophenyl)hexane-1,2-diamine is sourced from PubChem (CID 83951003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).