N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine

C17H28FN — CID 63507260

IUPACN-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine
SMILESCCC(CC)(CNC(C)(C)C)Cc1cccc(F)c1
InChIInChI=1S/C17H28FN/c1-6-17(7-2,13-19-16(3,4)5)12-14-9-8-10-15(18)11-14/h8-11,19H,6-7,12-13H2,1-5H3
InChIKeyJPPNVEJQHQAUGI-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.56
Rot. Bonds6

About N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine

N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine (PubChem CID 63507260) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine
PubChem CID63507260
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC NameN-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine
SMILESCCC(CC)(CNC(C)(C)C)Cc1cccc(F)c1
InChIInChI=1S/C17H28FN/c1-6-17(7-2,13-19-16(3,4)5)12-14-9-8-10-15(18)11-14/h8-11,19H,6-7,12-13H2,1-5H3
InChIKeyJPPNVEJQHQAUGI-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 105408247
2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
CID 66060199
N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine
CID 71052511
1-[2-(bromomethyl)-2-ethylhexyl]-3-fluorobenzene
CID 66050230
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726299
2-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718469
N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 62516409
N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66026247
2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 105455069
2-[(5-bromo-2-fluorophenyl)methyl]-N-tert-butyl-2-ethylbutan-1-amine
CID 63507943
1-N-tert-butyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83042724

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine (CID 63507260) is N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine is CCC(CC)(CNC(C)(C)C)Cc1cccc(F)c1.
What is the InChIKey of N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine?
The InChIKey is JPPNVEJQHQAUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-6-17(7-2,13-19-16(3,4)5)12-14-9-8-10-15(18)11-14/h8-11,19H,6-7,12-13H2,1-5H3.
What are the key properties of N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine?
N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine is sourced from PubChem (CID 63507260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).