2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C14H21F3N2 — CID 55089287

IUPAC2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCN(Cc1ccccc1)C(C)CNCC(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-3-19(10-13-7-5-4-6-8-13)12(2)9-18-11-14(15,16)17/h4-8,12,18H,3,9-11H2,1-2H3
InChIKeyDCVUPHKDNNPHGZ-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.05
Rot. Bonds7

About 2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 55089287) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID55089287
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCN(Cc1ccccc1)C(C)CNCC(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-3-19(10-13-7-5-4-6-8-13)12(2)9-18-11-14(15,16)17/h4-8,12,18H,3,9-11H2,1-2H3
InChIKeyDCVUPHKDNNPHGZ-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-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

2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569627
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 62556964
2-benzylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55092267
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914952
4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 62418482
N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine
CID 101465412
4-[2-[benzyl(ethyl)amino]propyl]aniline
CID 82255967
3-N,3-N-dibenzyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 130158972
N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63482890

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 55089287) is 2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CCN(Cc1ccccc1)C(C)CNCC(F)(F)F.
What is the InChIKey of 2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is DCVUPHKDNNPHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-3-19(10-13-7-5-4-6-8-13)12(2)9-18-11-14(15,16)17/h4-8,12,18H,3,9-11H2,1-2H3.
What are the key properties of 2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 274.33 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-ethyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 55089287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).