N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine

C16H25FN2 — CID 55098964

IUPACN'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(NC)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H25FN2/c1-3-11-19(15-8-9-15)12-10-16(18-2)13-4-6-14(17)7-5-13/h4-7,15-16,18H,3,8-12H2,1-2H3
InChIKeyDZZOSCYYFMPGDZ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.35
Rot. Bonds8

About N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine

N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine (PubChem CID 55098964) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
PubChem CID55098964
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCC(NC)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H25FN2/c1-3-11-19(15-8-9-15)12-10-16(18-2)13-4-6-14(17)7-5-13/h4-7,15-16,18H,3,8-12H2,1-2H3
InChIKeyDZZOSCYYFMPGDZ-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine
CID 64521860
N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine
CID 62612456
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499
2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099042
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63484007
N'-cyclopropyl-N-ethyl-1-phenyl-N'-propylpropane-1,3-diamine
CID 62612116
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
CID 62644190
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713049
2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 102870901
N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 64521664
1-(4-fluorophenyl)-N-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493912

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine (CID 55098964) is N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine is CCCN(CCC(NC)c1ccc(F)cc1)C1CC1.
What is the InChIKey of N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is DZZOSCYYFMPGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-11-19(15-8-9-15)12-10-16(18-2)13-4-6-14(17)7-5-13/h4-7,15-16,18H,3,8-12H2,1-2H3.
What are the key properties of N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine?
N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 55098964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).