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

C19H32FN — CID 63508094

IUPACN-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNC(C)(C)C)Cc1ccccc1F
InChIInChI=1S/C19H32FN/c1-6-8-13-19(7-2,15-21-18(3,4)5)14-16-11-9-10-12-17(16)20/h9-12,21H,6-8,13-15H2,1-5H3
InChIKeyBDCWISOHRUUMRJ-UHFFFAOYSA-N
MW293.47 g/mol
LogP5.34
Rot. Bonds8

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

N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine (PubChem CID 63508094) has the molecular formula C19H32FN and a molecular weight of 293.47 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine
PubChem CID63508094
Molecular FormulaC19H32FN
Molecular Weight293.47 g/mol
Exact Mass293.25
IUPAC NameN-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNC(C)(C)C)Cc1ccccc1F
InChIInChI=1S/C19H32FN/c1-6-8-13-19(7-2,15-21-18(3,4)5)14-16-11-9-10-12-17(16)20/h9-12,21H,6-8,13-15H2,1-5H3
InChIKeyBDCWISOHRUUMRJ-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63507222
1-(2-fluorophenyl)-2-methylhexan-2-ol
CID 114832673
2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 55195094
N-tert-butyl-2-ethyl-2-propylhexan-1-amine
CID 63507407
2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 103049706
2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol
CID 66058091
2-[(5-bromo-2-fluorophenyl)methyl]-N-tert-butyl-2-ethylbutan-1-amine
CID 63507943
1-(2-fluorophenyl)-2-methyloctan-2-amine
CID 114833613
1-(2-fluorophenyl)-2-methyldecan-2-amine
CID 114833515
N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 63507260
N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine
CID 62725434
2-[(2-chloro-6-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 63507037

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine (CID 63508094) is N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine is CCCCC(CC)(CNC(C)(C)C)Cc1ccccc1F.
What is the InChIKey of N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine?
The InChIKey is BDCWISOHRUUMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN/c1-6-8-13-19(7-2,15-21-18(3,4)5)14-16-11-9-10-12-17(16)20/h9-12,21H,6-8,13-15H2,1-5H3.
What are the key properties of N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine?
N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine has a molecular weight of 293.47 g/mol, XLogP of 5.34, 8 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-[(2-fluorophenyl)methyl]hexan-1-amine is sourced from PubChem (CID 63508094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).