1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine

C14H23FN2 — CID 55018970

IUPAC1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine
SMILESCCCN(C)C(c1ccccc1F)C(N)CC
InChIInChI=1S/C14H23FN2/c1-4-10-17(3)14(13(16)5-2)11-8-6-7-9-12(11)15/h6-9,13-14H,4-5,10,16H2,1-3H3
InChIKeyTVVQUVPTYFJSPX-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.95
Rot. Bonds6

About 1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine

1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine (PubChem CID 55018970) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine
PubChem CID55018970
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine
SMILESCCCN(C)C(c1ccccc1F)C(N)CC
InChIInChI=1S/C14H23FN2/c1-4-10-17(3)14(13(16)5-2)11-8-6-7-9-12(11)15/h6-9,13-14H,4-5,10,16H2,1-3H3
InChIKeyTVVQUVPTYFJSPX-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol
CID 107198264
1-N-(cyclopentylmethyl)-1-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine
CID 63633108
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55019022
1-(2-fluorophenyl)propan-1-amine
CID 18439474
1-(2-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 82949014
3-[[2-amino-1-(2-fluorophenyl)butyl]-ethylamino]propanenitrile
CID 55019174
1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 55019117
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201
1-(2-bromophenyl)-1-N-methyl-1-N-(2-methylsulfanylethyl)butane-1,2-diamine
CID 112657300
1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62545323
1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine
CID 63406143
1-(2-methoxyphenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81036559

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine (CID 55018970) is 1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine is CCCN(C)C(c1ccccc1F)C(N)CC.
What is the InChIKey of 1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine?
The InChIKey is TVVQUVPTYFJSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-10-17(3)14(13(16)5-2)11-8-6-7-9-12(11)15/h6-9,13-14H,4-5,10,16H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine?
1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 55018970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).