1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine

C13H21FN2 — CID 116905619

IUPAC1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine
SMILESCC(N)CCC(c1cccc(F)c1)N(C)C
InChIInChI=1S/C13H21FN2/c1-10(15)7-8-13(16(2)3)11-5-4-6-12(14)9-11/h4-6,9-10,13H,7-8,15H2,1-3H3
InChIKeyTXLRZDXCEZKGQE-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.56
Rot. Bonds5

About 1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine

1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine (PubChem CID 116905619) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine
PubChem CID116905619
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine
SMILESCC(N)CCC(c1cccc(F)c1)N(C)C
InChIInChI=1S/C13H21FN2/c1-10(15)7-8-13(16(2)3)11-5-4-6-12(14)9-11/h4-6,9-10,13H,7-8,15H2,1-3H3
InChIKeyTXLRZDXCEZKGQE-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine
CID 116907486
4-(3-fluorophenyl)pentan-2-amine
CID 64719405
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(5-chloro-2-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905600
1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62643255
1-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-3-fluorobenzene
CID 134035716
4-(dimethylamino)-4-(3-fluorophenyl)-2,2-dimethylbutanoic acid
CID 116908326
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine
CID 116904868
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine?
The IUPAC name of 1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine (CID 116905619) is 1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine is CC(N)CCC(c1cccc(F)c1)N(C)C.
What is the InChIKey of 1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine?
The InChIKey is TXLRZDXCEZKGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-10(15)7-8-13(16(2)3)11-5-4-6-12(14)9-11/h4-6,9-10,13H,7-8,15H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine?
1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine is sourced from PubChem (CID 116905619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).