N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine

C18H31FN2 — CID 62271540

IUPACN-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H31FN2/c1-7-18(5,13-20-17(2,3)4)14-21(6)12-15-8-10-16(19)11-9-15/h8-11,20H,7,12-14H2,1-6H3
InChIKeyLAQBUAXLPDRVIV-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.06
Rot. Bonds7

About N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine

N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine (PubChem CID 62271540) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
PubChem CID62271540
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC NameN-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H31FN2/c1-7-18(5,13-20-17(2,3)4)14-21(6)12-15-8-10-16(19)11-9-15/h8-11,20H,7,12-14H2,1-6H3
InChIKeyLAQBUAXLPDRVIV-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62262100
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
CID 62266717
N-tert-butyl-N'-[(3-chlorophenyl)methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine
CID 63495152
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
CID 62255918
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62257217
N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 63495763
2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62272643
N-cyclopropyl-2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 62259472
N-tert-butyl-N'-[(4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 62260451
N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256830
1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol
CID 62772830
N-[(4-fluorophenyl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62270448

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine (CID 62271540) is N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine is CCC(C)(CNC(C)(C)C)CN(C)Cc1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
The InChIKey is LAQBUAXLPDRVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-7-18(5,13-20-17(2,3)4)14-21(6)12-15-8-10-16(19)11-9-15/h8-11,20H,7,12-14H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine?
N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine has a molecular weight of 294.46 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62271540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).