3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine

C14H23FN2 — CID 54963562

IUPAC3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NC(C)c1ccccc1F
InChIInChI=1S/C14H23FN2/c1-11(9-10-17(3)4)16-12(2)13-7-5-6-8-14(13)15/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyCQSOBJJYRZWGHT-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.82
Rot. Bonds6

About 3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine

3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 54963562) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID54963562
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NC(C)c1ccccc1F
InChIInChI=1S/C14H23FN2/c1-11(9-10-17(3)4)16-12(2)13-7-5-6-8-14(13)15/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyCQSOBJJYRZWGHT-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
3-[1-(2-fluorophenyl)ethylamino]butanenitrile
CID 61361823
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
1-(4-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-2-amine
CID 43677712
N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 60943739
4-[1-[4-(dimethylamino)butan-2-ylamino]ethyl]benzene-1,3-diol
CID 54963661
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine
CID 114992039
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177
2-[1-[4-(dimethylamino)butan-2-ylamino]ethyl]-5-methylphenol
CID 54963614
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine (CID 54963562) is 3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine is CC(CCN(C)C)NC(C)c1ccccc1F.
What is the InChIKey of 3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is CQSOBJJYRZWGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-11(9-10-17(3)4)16-12(2)13-7-5-6-8-14(13)15/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of 3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(2-fluorophenyl)ethyl]-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 54963562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).