1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine

C15H22F4N2 — CID 115996979

IUPAC1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
SMILESCNC(c1ccccc1F)C(C)CN(C)CCC(F)(F)F
InChIInChI=1S/C15H22F4N2/c1-11(10-21(3)9-8-15(17,18)19)14(20-2)12-6-4-5-7-13(12)16/h4-7,11,14,20H,8-10H2,1-3H3
InChIKeyXKGHHBGCTRCXNI-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.61
Rot. Bonds7

About 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine

1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine (PubChem CID 115996979) has the molecular formula C15H22F4N2 and a molecular weight of 306.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
PubChem CID115996979
Molecular FormulaC15H22F4N2
Molecular Weight306.35 g/mol
Exact Mass306.17
IUPAC Name1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
SMILESCNC(c1ccccc1F)C(C)CN(C)CCC(F)(F)F
InChIInChI=1S/C15H22F4N2/c1-11(10-21(3)9-8-15(17,18)19)14(20-2)12-6-4-5-7-13(12)16/h4-7,11,14,20H,8-10H2,1-3H3
InChIKeyXKGHHBGCTRCXNI-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

Analyze 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
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
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'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 115996809
N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996733
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949640
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
CID 115996740
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'-(2-ethoxyethyl)-N-ethyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115997007
N'-cyclopentyl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996757

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine (CID 115996979) is 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine is CNC(c1ccccc1F)C(C)CN(C)CCC(F)(F)F.
What is the InChIKey of 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine?
The InChIKey is XKGHHBGCTRCXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F4N2/c1-11(10-21(3)9-8-15(17,18)19)14(20-2)12-6-4-5-7-13(12)16/h4-7,11,14,20H,8-10H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine?
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)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 1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine is sourced from PubChem (CID 115996979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).