4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine

C15H24F2N2 — CID 82922479

IUPAC4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(C)C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H24F2N2/c1-4-8-18-13(7-9-19(2)3)10-12-5-6-14(16)15(17)11-12/h5-6,11,13,18H,4,7-10H2,1-3H3
InChIKeyJYXGDWPIDDIFQP-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.83
Rot. Bonds8

About 4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine

4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine (PubChem CID 82922479) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
PubChem CID82922479
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
SMILESCCCNC(CCN(C)C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H24F2N2/c1-4-8-18-13(7-9-19(2)3)10-12-5-6-14(16)15(17)11-12/h5-6,11,13,18H,4,7-10H2,1-3H3
InChIKeyJYXGDWPIDDIFQP-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-iodophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291375
4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291352
1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine
CID 105028359
1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 114875109
1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine
CID 82922348
1-(3,4-difluorophenyl)-N-propylnon-8-en-2-amine
CID 107012123
1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105013377
1-(3,4-difluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 82922146
4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 83182973
1-(3,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105176044
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556973
4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093417

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The IUPAC name of 4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine (CID 82922479) is 4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine is CCCNC(CCN(C)C)Cc1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
The InChIKey is JYXGDWPIDDIFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-4-8-18-13(7-9-19(2)3)10-12-5-6-14(16)15(17)11-12/h5-6,11,13,18H,4,7-10H2,1-3H3.
What are the key properties of 4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine?
4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine has a molecular weight of 270.37 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 82922479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).