N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine

C18H30FN — CID 105374927

IUPACN-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)Cc1cc(F)ccc1C
InChIInChI=1S/C18H30FN/c1-7-10-18(6,13-20-17(3,4)5)12-15-11-16(19)9-8-14(15)2/h8-9,11,20H,7,10,12-13H2,1-6H3
InChIKeyKBBCVUYLWFUSAI-UHFFFAOYSA-N
MW279.44 g/mol
LogP4.87
Rot. Bonds6

About N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine

N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine (PubChem CID 105374927) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine
PubChem CID105374927
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC NameN-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)Cc1cc(F)ccc1C
InChIInChI=1S/C18H30FN/c1-7-10-18(6,13-20-17(3,4)5)12-15-11-16(19)9-8-14(15)2/h8-9,11,20H,7,10,12-13H2,1-6H3
InChIKeyKBBCVUYLWFUSAI-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylbut-3-en-1-amine
CID 102641413
N-tert-butyl-2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 102858809
2-[(2-bromo-5-fluorophenyl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 55196819
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol
CID 105376091
2-[2,2-bis(chloromethyl)pentyl]-4-fluoro-1-methylbenzene
CID 105376114
1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 105375922
4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine
CID 105376290
1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine
CID 83698852
1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105375921
N,2-diethyl-2-[(5-fluoro-2-methylphenyl)methyl]hexan-1-amine
CID 105374931
2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63509440
N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 81022530

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine (CID 105374927) is N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine is CCCC(C)(CNC(C)(C)C)Cc1cc(F)ccc1C.
What is the InChIKey of N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine?
The InChIKey is KBBCVUYLWFUSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-7-10-18(6,13-20-17(3,4)5)12-15-11-16(19)9-8-14(15)2/h8-9,11,20H,7,10,12-13H2,1-6H3.
What are the key properties of N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine?
N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 4.87, 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-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine is sourced from PubChem (CID 105374927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).