3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine

C16H27FN2 — CID 43830618

IUPAC3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine
SMILESCCCC(N(C)C)C(N)(c1ccccc1F)C(C)C
InChIInChI=1S/C16H27FN2/c1-6-9-15(19(4)5)16(18,12(2)3)13-10-7-8-11-14(13)17/h7-8,10-12,15H,6,9,18H2,1-5H3
InChIKeyNVHDMRSHNHLBIZ-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.37
Rot. Bonds6

About 3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine

3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine (PubChem CID 43830618) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine
PubChem CID43830618
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine
SMILESCCCC(N(C)C)C(N)(c1ccccc1F)C(C)C
InChIInChI=1S/C16H27FN2/c1-6-9-15(19(4)5)16(18,12(2)3)13-10-7-8-11-14(13)17/h7-8,10-12,15H,6,9,18H2,1-5H3
InChIKeyNVHDMRSHNHLBIZ-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-[benzyl(methyl)amino]-2-(2-fluorophenyl)-2-propan-2-ylhexanenitrile
CID 19384647
2-fluoro-2-(2-fluorophenyl)-3-methylbutan-1-amine
CID 112566875
2-(2-fluorophenyl)-3-N,3-N-dipropylpentane-2,3-diamine
CID 43830567
3-(2-fluorophenyl)-4-N,4-N-dipropylhexane-3,4-diamine
CID 43830575
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
1,1,1-trifluoro-N,N-dimethylpentan-2-amine
CID 116914306
3-N,3-N-diethyl-4-(2-fluorophenyl)octane-3,4-diamine
CID 43830590
3-N,3-N-diethyl-4-(2-fluorophenyl)-6-methylhept-6-ene-3,4-diamine
CID 43830600
3-(2-fluorophenyl)-2-N,2-N-dipropylhex-5-ene-2,3-diamine
CID 43830553

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine?
The IUPAC name of 3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine (CID 43830618) is 3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine.
What is the SMILES notation for 3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine?
The canonical SMILES for 3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine is CCCC(N(C)C)C(N)(c1ccccc1F)C(C)C.
What is the InChIKey of 3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine?
The InChIKey is NVHDMRSHNHLBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-6-9-15(19(4)5)16(18,12(2)3)13-10-7-8-11-14(13)17/h7-8,10-12,15H,6,9,18H2,1-5H3.
What are the key properties of 3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine?
3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-N,4-N,2-trimethylheptane-3,4-diamine is sourced from PubChem (CID 43830618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).