3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine

C15H24FN — CID 79830965

IUPAC3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCc1cc(C(C)(C)CCNC(C)C)ccc1F
InChIInChI=1S/C15H24FN/c1-11(2)17-9-8-15(4,5)13-6-7-14(16)12(3)10-13/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyRXXVSDPTBFMSPC-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.80
Rot. Bonds5

About 3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine

3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 79830965) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID79830965
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCc1cc(C(C)(C)CCNC(C)C)ccc1F
InChIInChI=1S/C15H24FN/c1-11(2)17-9-8-15(4,5)13-6-7-14(16)12(3)10-13/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyRXXVSDPTBFMSPC-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 79830965) is 3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine is Cc1cc(C(C)(C)CCNC(C)C)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is RXXVSDPTBFMSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-11(2)17-9-8-15(4,5)13-6-7-14(16)12(3)10-13/h6-7,10-11,17H,8-9H2,1-5H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79830965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).