N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine

C14H23FN2 — CID 79086739

IUPACN',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine
SMILESCCN(CC)CCC(N)c1cc(C)ccc1F
InChIInChI=1S/C14H23FN2/c1-4-17(5-2)9-8-14(16)12-10-11(3)6-7-13(12)15/h6-7,10,14H,4-5,8-9,16H2,1-3H3
InChIKeyJBJWGVSKHJYDNV-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.87
Rot. Bonds6

About N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine

N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine (PubChem CID 79086739) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine
PubChem CID79086739
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine
SMILESCCN(CC)CCC(N)c1cc(C)ccc1F
InChIInChI=1S/C14H23FN2/c1-4-17(5-2)9-8-14(16)12-10-11(3)6-7-13(12)15/h6-7,10,14H,4-5,8-9,16H2,1-3H3
InChIKeyJBJWGVSKHJYDNV-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
CID 171204011
N',N'-diethyl-1-(2,3,4-trifluorophenyl)propane-1,3-diamine
CID 79087025
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
CID 171204045
1-(3,4-difluorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 79086921
(1S)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171223608
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171204036
N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204037
N',N'-diethyl-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 103395679
3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 62790891
1-(2-fluoro-5-methylphenyl)-2-propoxyethanamine
CID 62789887
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propanenitrile
CID 55275953

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine (CID 79086739) is N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine is CCN(CC)CCC(N)c1cc(C)ccc1F.
What is the InChIKey of N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine?
The InChIKey is JBJWGVSKHJYDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-17(5-2)9-8-14(16)12-10-11(3)6-7-13(12)15/h6-7,10,14H,4-5,8-9,16H2,1-3H3.
What are the key properties of N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine?
N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 79086739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).