N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine

C19H32FN — CID 82925740

IUPACN-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
SMILESCCC(CC)CC(CNC(C)(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C19H32FN/c1-6-15(7-2)12-17(14-21-19(3,4)5)13-16-8-10-18(20)11-9-16/h8-11,15,17,21H,6-7,12-14H2,1-5H3
InChIKeyNYZLNEKIUXUNIT-UHFFFAOYSA-N
MW293.47 g/mol
LogP5.20
Rot. Bonds8

About N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine

N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine (PubChem CID 82925740) has the molecular formula C19H32FN and a molecular weight of 293.47 g/mol. Its IUPAC name is N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
PubChem CID82925740
Molecular FormulaC19H32FN
Molecular Weight293.47 g/mol
Exact Mass293.25
IUPAC NameN-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
SMILESCCC(CC)CC(CNC(C)(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C19H32FN/c1-6-15(7-2)12-17(14-21-19(3,4)5)13-16-8-10-18(20)11-9-16/h8-11,15,17,21H,6-7,12-14H2,1-5H3
InChIKeyNYZLNEKIUXUNIT-UHFFFAOYSA-N
XLogP5.20
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 ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-4-ethyl-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 82925737
N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine
CID 107446735
N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine
CID 65180744
N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 62516409
4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine
CID 82923491
N-tert-butyl-4-methyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63497991
N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 55195456
2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 55195646
N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine
CID 63497814
N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79437531
N-(2-ethylpentyl)-4-fluoroaniline
CID 102338338
N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139010

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine?
The IUPAC name of N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine (CID 82925740) is N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine.
What is the SMILES notation for N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine?
The canonical SMILES for N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine is CCC(CC)CC(CNC(C)(C)C)Cc1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine?
The InChIKey is NYZLNEKIUXUNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN/c1-6-15(7-2)12-17(14-21-19(3,4)5)13-16-8-10-18(20)11-9-16/h8-11,15,17,21H,6-7,12-14H2,1-5H3.
What are the key properties of N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine?
N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine has a molecular weight of 293.47 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine is sourced from PubChem (CID 82925740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).