N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine

C15H25FN2 — CID 62263625

IUPACN-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCCNCC(C)(C)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C15H25FN2/c1-5-17-11-15(2,3)12-18(4)10-13-7-6-8-14(16)9-13/h6-9,17H,5,10-12H2,1-4H3
InChIKeyDFNGWPNZPVHZFV-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.89
Rot. Bonds7

About N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine

N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 62263625) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
PubChem CID62263625
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCCNCC(C)(C)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C15H25FN2/c1-5-17-11-15(2,3)12-18(4)10-13-7-6-8-14(16)9-13/h6-9,17H,5,10-12H2,1-4H3
InChIKeyDFNGWPNZPVHZFV-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 115257984
2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 62271084
4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66454766
1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
3-chloro-N-[(3-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 115363424
N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62270448
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
CID 80551034
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106707877
N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62260843
N'-[(3-fluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667717
1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885285

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine (CID 62263625) is N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine is CCNCC(C)(C)CN(C)Cc1cccc(F)c1.
What is the InChIKey of N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is DFNGWPNZPVHZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-17-11-15(2,3)12-18(4)10-13-7-6-8-14(16)9-13/h6-9,17H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 62263625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).