2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine

C19H24FN — CID 114872632

IUPAC2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine
SMILESCCC(N)(Cc1ccc(C(C)C)cc1)c1cccc(F)c1
InChIInChI=1S/C19H24FN/c1-4-19(21,17-6-5-7-18(20)12-17)13-15-8-10-16(11-9-15)14(2)3/h5-12,14H,4,13,21H2,1-3H3
InChIKeyJWBKBRUNNRYNMI-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.76
Rot. Bonds5

About 2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine

2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine (PubChem CID 114872632) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine
PubChem CID114872632
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine
SMILESCCC(N)(Cc1ccc(C(C)C)cc1)c1cccc(F)c1
InChIInChI=1S/C19H24FN/c1-4-19(21,17-6-5-7-18(20)12-17)13-15-8-10-16(11-9-15)14(2)3/h5-12,14H,4,13,21H2,1-3H3
InChIKeyJWBKBRUNNRYNMI-UHFFFAOYSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(3-fluorophenyl)butan-2-amine
CID 114872661
2-(3-fluorophenyl)-1-pyridin-3-ylbutan-2-amine
CID 114872773
1-(2-chlorophenyl)-2-(3-fluorophenyl)butan-2-amine
CID 114872708
2-(3-fluorophenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 114872762
2-(3-fluorophenyl)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 114872618
2-(3-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 60798625
2-(3-fluoro-5-methylphenyl)-1-phenylbutan-2-amine
CID 79703833
2-(3-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-amine
CID 63408099
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62621068
1-(3-fluorophenyl)-1-(4-propylphenyl)propan-1-amine
CID 114872694
2-(4-fluoro-3-methylphenyl)-1-phenylbutan-2-amine
CID 79007872
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine?
The IUPAC name of 2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine (CID 114872632) is 2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine?
The canonical SMILES for 2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine is CCC(N)(Cc1ccc(C(C)C)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine?
The InChIKey is JWBKBRUNNRYNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-4-19(21,17-6-5-7-18(20)12-17)13-15-8-10-16(11-9-15)14(2)3/h5-12,14H,4,13,21H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine?
2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine has a molecular weight of 285.41 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(4-propan-2-ylphenyl)butan-2-amine is sourced from PubChem (CID 114872632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).