1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine

C14H23FN2 — CID 116913486

IUPAC1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)C(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C14H23FN2/c1-10(2)13(9-16)14(17(3)4)11-5-7-12(15)8-6-11/h5-8,10,13-14H,9,16H2,1-4H3
InChIKeyKZDKVPOHQLRNJO-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.66
Rot. Bonds5

About 1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine

1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116913486) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID116913486
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)C(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C14H23FN2/c1-10(2)13(9-16)14(17(3)4)11-5-7-12(15)8-6-11/h5-8,10,13-14H,9,16H2,1-4H3
InChIKeyKZDKVPOHQLRNJO-UHFFFAOYSA-N
XLogP2.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913506
3-(4-fluorophenyl)-2-methylbutan-1-amine
CID 81010865
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887
1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913500
1-(2-bromophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913535
2-[1-(4-fluorophenyl)ethyl]propane-1,3-diamine
CID 83930930
N,N-dimethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116913540
2-[(3,4-difluorophenyl)-(dimethylamino)methyl]-3-methylbutan-1-ol
CID 116913438
1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913495
2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine
CID 82089305
N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 43272751
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43271936

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine (CID 116913486) is 1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)C(c1ccc(F)cc1)N(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is KZDKVPOHQLRNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-10(2)13(9-16)14(17(3)4)11-5-7-12(15)8-6-11/h5-8,10,13-14H,9,16H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116913486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).