N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine

C14H23FN2 — CID 113440602

IUPACN-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine
SMILESCCN(CC(C)CCCN)c1ccccc1F
InChIInChI=1S/C14H23FN2/c1-3-17(11-12(2)7-6-10-16)14-9-5-4-8-13(14)15/h4-5,8-9,12H,3,6-7,10-11,16H2,1-2H3
InChIKeyKXLBRTBXNYCUGQ-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.03
Rot. Bonds7

About N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine

N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine (PubChem CID 113440602) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine
PubChem CID113440602
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine
SMILESCCN(CC(C)CCCN)c1ccccc1F
InChIInChI=1S/C14H23FN2/c1-3-17(11-12(2)7-6-10-16)14-9-5-4-8-13(14)15/h4-5,8-9,12H,3,6-7,10-11,16H2,1-2H3
InChIKeyKXLBRTBXNYCUGQ-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-1-N-(2-fluorophenyl)-4-methoxybutane-1,2-diamine
CID 62478003
3-(N-ethyl-2-fluoroanilino)propane-1,2-diol
CID 82849393
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
CID 113440610
N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline
CID 22638194
2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid
CID 63054175
N'-(2-ethylsulfonylethyl)-N'-(2-fluorophenyl)propane-1,3-diamine
CID 43807495
2-[ethyl(2-methylbutyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519700
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline
CID 63887475
N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62618774
1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
CID 63493331
1-N-ethyl-1-N-(2-ethylbutyl)-3-fluorobenzene-1,2-diamine
CID 60789812
N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291267

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine (CID 113440602) is N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine is CCN(CC(C)CCCN)c1ccccc1F.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine?
The InChIKey is KXLBRTBXNYCUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-3-17(11-12(2)7-6-10-16)14-9-5-4-8-13(14)15/h4-5,8-9,12H,3,6-7,10-11,16H2,1-2H3.
What are the key properties of N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine?
N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine has a molecular weight of 238.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine is sourced from PubChem (CID 113440602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).