3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine

C18H31FN2 — CID 43830590

IUPAC3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine
SMILESCCCCC(N)(c1ccccc1F)C(CC)N(CC)CC
InChIInChI=1S/C18H31FN2/c1-5-9-14-18(20,15-12-10-11-13-16(15)19)17(6-2)21(7-3)8-4/h10-13,17H,5-9,14,20H2,1-4H3
InChIKeyHVUBIVLGYDAGPM-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.29
Rot. Bonds9

About 3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine

3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine (PubChem CID 43830590) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine
PubChem CID43830590
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine
SMILESCCCCC(N)(c1ccccc1F)C(CC)N(CC)CC
InChIInChI=1S/C18H31FN2/c1-5-9-14-18(20,15-12-10-11-13-16(15)19)17(6-2)21(7-3)8-4/h10-13,17H,5-9,14,20H2,1-4H3
InChIKeyHVUBIVLGYDAGPM-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine
CID 43830600
3-(2-fluorophenyl)-4-N,4-N-dipropylhexane-3,4-diamine
CID 43830575
2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine
CID 43830567
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
4-(2-fluorophenyl)-5-N,5-N-dimethylnon-1-ene-4,5-diamine
CID 43830638
3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine
CID 43830553
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993
3-N,3-N-diethyl-2-phenylheptane-2,3-diamine
CID 43829678
3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine
CID 43830618
(3R)-2-methyl-3-phenylheptan-3-amine
CID 53487426
2-(2-fluorophenyl)nonan-2-ol
CID 65144891

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine?
The IUPAC name of 3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine (CID 43830590) is 3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine?
The canonical SMILES for 3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine is CCCCC(N)(c1ccccc1F)C(CC)N(CC)CC.
What is the InChIKey of 3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine?
The InChIKey is HVUBIVLGYDAGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-5-9-14-18(20,15-12-10-11-13-16(15)19)17(6-2)21(7-3)8-4/h10-13,17H,5-9,14,20H2,1-4H3.
What are the key properties of 3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine?
3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine has a molecular weight of 294.46 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine is sourced from PubChem (CID 43830590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).