1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine

C17H29FN2 — CID 62978094

IUPAC1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
SMILESCCCNC(C)CCCN(C)C(C)c1ccccc1F
InChIInChI=1S/C17H29FN2/c1-5-12-19-14(2)9-8-13-20(4)15(3)16-10-6-7-11-17(16)18/h6-7,10-11,14-15,19H,5,8-9,12-13H2,1-4H3
InChIKeyDCHHBNFEYQDRAM-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.99
Rot. Bonds9

About 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine

1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine (PubChem CID 62978094) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
PubChem CID62978094
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
SMILESCCCNC(C)CCCN(C)C(C)c1ccccc1F
InChIInChI=1S/C17H29FN2/c1-5-12-19-14(2)9-8-13-20(4)15(3)16-10-6-7-11-17(16)18/h6-7,10-11,14-15,19H,5,8-9,12-13H2,1-4H3
InChIKeyDCHHBNFEYQDRAM-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine
CID 62977924
1-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62977925
4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine
CID 106799773
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62980033
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505692
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62985101
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62984584
5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile
CID 65257421
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62985120
1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine
CID 65486070

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine?
The IUPAC name of 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine (CID 62978094) is 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine.
What is the SMILES notation for 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine?
The canonical SMILES for 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine is CCCNC(C)CCCN(C)C(C)c1ccccc1F.
What is the InChIKey of 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine?
The InChIKey is DCHHBNFEYQDRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-5-12-19-14(2)9-8-13-20(4)15(3)16-10-6-7-11-17(16)18/h6-7,10-11,14-15,19H,5,8-9,12-13H2,1-4H3.
What are the key properties of 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine?
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine has a molecular weight of 280.43 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine is sourced from PubChem (CID 62978094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).