N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine

C16H27FN2 — CID 114872153

IUPACN'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine
SMILESCCC(c1cccc(F)c1)N(CC)CC(C)(C)CN
InChIInChI=1S/C16H27FN2/c1-5-15(13-8-7-9-14(17)10-13)19(6-2)12-16(3,4)11-18/h7-10,15H,5-6,11-12,18H2,1-4H3
InChIKeyRHADEROCULCCNX-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.58
Rot. Bonds7

About N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine

N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine (PubChem CID 114872153) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine
PubChem CID114872153
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC NameN'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine
SMILESCCC(c1cccc(F)c1)N(CC)CC(C)(C)CN
InChIInChI=1S/C16H27FN2/c1-5-15(13-8-7-9-14(17)10-13)19(6-2)12-16(3,4)11-18/h7-10,15H,5-6,11-12,18H2,1-4H3
InChIKeyRHADEROCULCCNX-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylpropane-1,3-diamine
CID 112585660
N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine
CID 106511255
N'-[1-(3-chlorophenyl)propyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79647643
N'-[2-amino-1-(3-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991412
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
N'-[(3-fluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667717
3-fluoro-3-(3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 105452091
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(3-fluorophenyl)acetamide
CID 79668064
1-(3-fluorophenyl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 79483927
N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62645505
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine (CID 114872153) is N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine is CCC(c1cccc(F)c1)N(CC)CC(C)(C)CN.
What is the InChIKey of N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine?
The InChIKey is RHADEROCULCCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-5-15(13-8-7-9-14(17)10-13)19(6-2)12-16(3,4)11-18/h7-10,15H,5-6,11-12,18H2,1-4H3.
What are the key properties of N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine?
N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[1-(3-fluorophenyl)propyl]-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 114872153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).