1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine

C14H23FN2 — CID 115717047

IUPAC1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(Cc1ccc(F)cc1)NCC(C)N(C)C
InChIInChI=1S/C14H23FN2/c1-11(16-10-12(2)17(3)4)9-13-5-7-14(15)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyKJOZPBRTQWOSKY-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.30
Rot. Bonds6

About 1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine

1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 115717047) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID115717047
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(Cc1ccc(F)cc1)NCC(C)N(C)C
InChIInChI=1S/C14H23FN2/c1-11(16-10-12(2)17(3)4)9-13-5-7-14(15)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyKJOZPBRTQWOSKY-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N-methylpropane-1,2-diamine
CID 103781637
4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline
CID 60956705
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine
CID 115712747
N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
CID 62995128
1-N-butan-2-yl-2-N-[(4-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62569275
ethyl 3-[1-(4-fluorophenyl)propan-2-ylamino]-2-methylpropanoate
CID 55141490
2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 103250419
3,3,3-trifluoro-2-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]propanenitrile
CID 103367260
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706199
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine
CID 115717758

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 115717047) is 1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine is CC(Cc1ccc(F)cc1)NCC(C)N(C)C.
What is the InChIKey of 1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is KJOZPBRTQWOSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-11(16-10-12(2)17(3)4)9-13-5-7-14(15)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of 1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115717047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).