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

C17H29FN2 — CID 62980033

IUPAC1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine
SMILESCCCNC(CCC)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C17H29FN2/c1-5-9-15(19-12-6-2)13-20(4)14(3)16-10-7-8-11-17(16)18/h7-8,10-11,14-15,19H,5-6,9,12-13H2,1-4H3
InChIKeyYGIDWOPOBMAJEX-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.99
Rot. Bonds9

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

1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine (PubChem CID 62980033) 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-2-N-propylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine
PubChem CID62980033
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine
SMILESCCCNC(CCC)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C17H29FN2/c1-5-9-15(19-12-6-2)13-20(4)14(3)16-10-7-8-11-17(16)18/h7-8,10-11,14-15,19H,5-6,9,12-13H2,1-4H3
InChIKeyYGIDWOPOBMAJEX-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]-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505692
3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 64898179
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 62978094
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine
CID 62977924
2-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpentan-1-amine
CID 65013097
4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine
CID 106799773
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
CID 113440610
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 62985981
N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine
CID 115996675
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284
2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62985637

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine?
The IUPAC name of 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine (CID 62980033) is 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine?
The canonical SMILES for 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine is CCCNC(CCC)CN(C)C(C)c1ccccc1F.
What is the InChIKey of 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine?
The InChIKey is YGIDWOPOBMAJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-5-9-15(19-12-6-2)13-20(4)14(3)16-10-7-8-11-17(16)18/h7-8,10-11,14-15,19H,5-6,9,12-13H2,1-4H3.
What are the key properties of 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine?
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-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-2-N-propylpentane-1,2-diamine is sourced from PubChem (CID 62980033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).