N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine

C17H27FN2 — CID 115996703

IUPACN'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN(C)C1CCCCC1)C(N)c1ccccc1F
InChIInChI=1S/C17H27FN2/c1-13(12-20(2)14-8-4-3-5-9-14)17(19)15-10-6-7-11-16(15)18/h6-7,10-11,13-14,17H,3-5,8-9,12,19H2,1-2H3
InChIKeyPHSGWUQPYMOVKW-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.73
Rot. Bonds5

About N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine

N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 115996703) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID115996703
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN(C)C1CCCCC1)C(N)c1ccccc1F
InChIInChI=1S/C17H27FN2/c1-13(12-20(2)14-8-4-3-5-9-14)17(19)15-10-6-7-11-16(15)18/h6-7,10-11,13-14,17H,3-5,8-9,12,19H2,1-2H3
InChIKeyPHSGWUQPYMOVKW-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine (CID 115996703) is N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine is CC(CN(C)C1CCCCC1)C(N)c1ccccc1F.
What is the InChIKey of N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is PHSGWUQPYMOVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13(12-20(2)14-8-4-3-5-9-14)17(19)15-10-6-7-11-16(15)18/h6-7,10-11,13-14,17H,3-5,8-9,12,19H2,1-2H3.
What are the key properties of N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 278.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115996703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).