5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine

C18H30FN — CID 106880149

IUPAC5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
SMILESCc1cc(F)cc(C)c1CCC(C)(C)CCNC(C)C
InChIInChI=1S/C18H30FN/c1-13(2)20-10-9-18(5,6)8-7-17-14(3)11-16(19)12-15(17)4/h11-13,20H,7-10H2,1-6H3
InChIKeyWRQXCSLQHBVBEV-UHFFFAOYSA-N
MW279.44 g/mol
LogP4.79
Rot. Bonds7

About 5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine

5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine (PubChem CID 106880149) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is 5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
PubChem CID106880149
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC Name5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
SMILESCc1cc(F)cc(C)c1CCC(C)(C)CCNC(C)C
InChIInChI=1S/C18H30FN/c1-13(2)20-10-9-18(5,6)8-7-17-14(3)11-16(19)12-15(17)4/h11-13,20H,7-10H2,1-6H3
InChIKeyWRQXCSLQHBVBEV-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine (CID 106880149) is 5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine is Cc1cc(F)cc(C)c1CCC(C)(C)CCNC(C)C.
What is the InChIKey of 5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine?
The InChIKey is WRQXCSLQHBVBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-13(2)20-10-9-18(5,6)8-7-17-14(3)11-16(19)12-15(17)4/h11-13,20H,7-10H2,1-6H3.
What are the key properties of 5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine?
5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 106880149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).