N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C15H22F4N2 — CID 115996806

IUPACN'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CC(C)C(NC)c1ccccc1F)CC(F)(F)F
InChIInChI=1S/C15H22F4N2/c1-4-21(10-15(17,18)19)9-11(2)14(20-3)12-7-5-6-8-13(12)16/h5-8,11,14,20H,4,9-10H2,1-3H3
InChIKeyNYZUTQOWFWVIOJ-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.61
Rot. Bonds7

About N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 115996806) has the molecular formula C15H22F4N2 and a molecular weight of 306.35 g/mol. Its IUPAC name is N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID115996806
Molecular FormulaC15H22F4N2
Molecular Weight306.35 g/mol
Exact Mass306.17
IUPAC NameN'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CC(C)C(NC)c1ccccc1F)CC(F)(F)F
InChIInChI=1S/C15H22F4N2/c1-4-21(10-15(17,18)19)9-11(2)14(20-3)12-7-5-6-8-13(12)16/h5-8,11,14,20H,4,9-10H2,1-3H3
InChIKeyNYZUTQOWFWVIOJ-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 115996979
N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996733
N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679791
N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine
CID 115996675
N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62619451
N'-cyclopentyl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996757
N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 115996717
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949640
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 115996737
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 115996833
N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 115996957

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 115996806) is N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCN(CC(C)C(NC)c1ccccc1F)CC(F)(F)F.
What is the InChIKey of N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is NYZUTQOWFWVIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F4N2/c1-4-21(10-15(17,18)19)9-11(2)14(20-3)12-7-5-6-8-13(12)16/h5-8,11,14,20H,4,9-10H2,1-3H3.
What are the key properties of N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 306.35 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 115996806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).