2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine

C17H29FN2 — CID 43830567

IUPAC2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine
SMILESCCCN(CCC)C(CC)C(C)(N)c1ccccc1F
InChIInChI=1S/C17H29FN2/c1-5-12-20(13-6-2)16(7-3)17(4,19)14-10-8-9-11-15(14)18/h8-11,16H,5-7,12-13,19H2,1-4H3
InChIKeyKDCJOBIRABMUMB-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.90
Rot. Bonds8

About 2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine

2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine (PubChem CID 43830567) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine
PubChem CID43830567
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine
SMILESCCCN(CCC)C(CC)C(C)(N)c1ccccc1F
InChIInChI=1S/C17H29FN2/c1-5-12-20(13-6-2)16(7-3)17(4,19)14-10-8-9-11-15(14)18/h8-11,16H,5-7,12-13,19H2,1-4H3
InChIKeyKDCJOBIRABMUMB-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-4-N,4-N-dipropylhexane-3,4-diamine
CID 43830575
3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine
CID 43830553
3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine
CID 43830590
3-N,3-N-dibutyl-2-phenylpentane-2,3-diamine
CID 43829559
3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine
CID 43830600
2-phenyl-3-N,3-N-dipropylheptane-2,3-diamine
CID 43829679
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine
CID 43830618
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
1-(2,6-difluorophenyl)-N,N-dipropylethane-1,2-diamine
CID 16794999
2-(2-fluorophenyl)-3-piperidin-1-ylbutan-2-amine
CID 43830514

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine?
The IUPAC name of 2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine (CID 43830567) is 2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine.
What is the SMILES notation for 2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine?
The canonical SMILES for 2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine is CCCN(CCC)C(CC)C(C)(N)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine?
The InChIKey is KDCJOBIRABMUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-5-12-20(13-6-2)16(7-3)17(4,19)14-10-8-9-11-15(14)18/h8-11,16H,5-7,12-13,19H2,1-4H3.
What are the key properties of 2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine?
2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine has a molecular weight of 280.43 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine is sourced from PubChem (CID 43830567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).