N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine

C17H27FN2 — CID 115996737

IUPACN'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)C(NC)c1ccccc1F)C1CC1
InChIInChI=1S/C17H27FN2/c1-4-11-20(14-9-10-14)12-13(2)17(19-3)15-7-5-6-8-16(15)18/h5-8,13-14,17,19H,4,9-12H2,1-3H3
InChIKeySJUOZDRIHMNPRI-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.60
Rot. Bonds8

About N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine

N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 115996737) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID115996737
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)C(NC)c1ccccc1F)C1CC1
InChIInChI=1S/C17H27FN2/c1-4-11-20(14-9-10-14)12-13(2)17(19-3)15-7-5-6-8-16(15)18/h5-8,13-14,17,19H,4,9-12H2,1-3H3
InChIKeySJUOZDRIHMNPRI-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 115996833
N'-cyclopentyl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996757
N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996733
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 55099405
3-[cyclopropyl(ethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679918
N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine
CID 55099247
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 115996979
N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 115996806
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
CID 115997000
1-(2-fluorophenyl)-N'-(3-methoxypropyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115996926
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949640

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine (CID 115996737) is N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(CC(C)C(NC)c1ccccc1F)C1CC1.
What is the InChIKey of N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is SJUOZDRIHMNPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-11-20(14-9-10-14)12-13(2)17(19-3)15-7-5-6-8-16(15)18/h5-8,13-14,17,19H,4,9-12H2,1-3H3.
What are the key properties of N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 278.41 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 115996737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).