2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine

C14H23FN2 — CID 65378984

IUPAC2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine
SMILESCCCC(CN)(CCC)Nc1ccccc1F
InChIInChI=1S/C14H23FN2/c1-3-9-14(11-16,10-4-2)17-13-8-6-5-7-12(13)15/h5-8,17H,3-4,9-11,16H2,1-2H3
InChIKeyRMHYTPVJPPBVBL-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.54
Rot. Bonds7

About 2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine

2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine (PubChem CID 65378984) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine
PubChem CID65378984
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine
SMILESCCCC(CN)(CCC)Nc1ccccc1F
InChIInChI=1S/C14H23FN2/c1-3-9-14(11-16,10-4-2)17-13-8-6-5-7-12(13)15/h5-8,17H,3-4,9-11,16H2,1-2H3
InChIKeyRMHYTPVJPPBVBL-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine
CID 65376902
2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine
CID 65379404
methyl 2-(2-fluoroanilino)-2-propylpentanoate
CID 54890183
2-N-(3-bromo-4-fluorophenyl)-2-propylpentane-1,2-diamine
CID 104776300
2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831552
3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 113490048
2-N-(2-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831551
2-(2-fluoroanilino)-2-methylnonan-1-ol
CID 55198849
2-(2-fluorophenyl)sulfanyl-2-propylpentan-1-amine
CID 66096789
1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 73013426
2-methyl-2-N-(2-methylphenyl)pentane-1,2-diamine
CID 65377999
2-N-(2-fluorophenyl)nonane-1,2-diamine
CID 65377519

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine?
The IUPAC name of 2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine (CID 65378984) is 2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine?
The canonical SMILES for 2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine is CCCC(CN)(CCC)Nc1ccccc1F.
What is the InChIKey of 2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine?
The InChIKey is RMHYTPVJPPBVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-3-9-14(11-16,10-4-2)17-13-8-6-5-7-12(13)15/h5-8,17H,3-4,9-11,16H2,1-2H3.
What are the key properties of 2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine?
2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-2-propylpentane-1,2-diamine is sourced from PubChem (CID 65378984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).