N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine

C18H30FN — CID 105374931

IUPACN,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1cc(F)ccc1C
InChIInChI=1S/C18H30FN/c1-5-8-11-18(6-2,14-20-7-3)13-16-12-17(19)10-9-15(16)4/h9-10,12,20H,5-8,11,13-14H2,1-4H3
InChIKeyACLJYAXIGNANIK-UHFFFAOYSA-N
MW279.44 g/mol
LogP4.87
Rot. Bonds9

About N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine

N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine (PubChem CID 105374931) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine
PubChem CID105374931
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC NameN,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNCC)Cc1cc(F)ccc1C
InChIInChI=1S/C18H30FN/c1-5-8-11-18(6-2,14-20-7-3)13-16-12-17(19)10-9-15(16)4/h9-10,12,20H,5-8,11,13-14H2,1-4H3
InChIKeyACLJYAXIGNANIK-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 102619893
N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 55195481
1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105375921
2-[2,2-bis(chloromethyl)pentyl]-4-fluoro-1-methylbenzene
CID 105376114
2-ethyl-N-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]hexan-1-amine
CID 63508441
2-[(2-bromo-5-methoxyphenyl)methyl]-N,2-diethylhexan-1-amine
CID 65327025
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 105375922
N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine
CID 105374927
N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine
CID 63509469
2-[(3-bromo-5-fluorophenyl)methyl]-2-ethyl-N-propylhexan-1-amine
CID 79697364
2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 103049706

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine?
The IUPAC name of N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine (CID 105374931) is N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine.
What is the SMILES notation for N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine?
The canonical SMILES for N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine is CCCCC(CC)(CNCC)Cc1cc(F)ccc1C.
What is the InChIKey of N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine?
The InChIKey is ACLJYAXIGNANIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-5-8-11-18(6-2,14-20-7-3)13-16-12-17(19)10-9-15(16)4/h9-10,12,20H,5-8,11,13-14H2,1-4H3.
What are the key properties of N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine?
N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 105374931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).