[2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine

C16H18FN — CID 61033431

IUPAC[2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine
SMILESCC(C)c1ccc(-c2ccc(F)c(CN)c2)cc1
InChIInChI=1S/C16H18FN/c1-11(2)12-3-5-13(6-4-12)14-7-8-16(17)15(9-14)10-18/h3-9,11H,10,18H2,1-2H3
InChIKeyFPDZVBVQVDKIIV-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.07
Rot. Bonds3

About [2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine

[2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine (PubChem CID 61033431) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is [2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine
PubChem CID61033431
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name[2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine
SMILESCC(C)c1ccc(-c2ccc(F)c(CN)c2)cc1
InChIInChI=1S/C16H18FN/c1-11(2)12-3-5-13(6-4-12)14-7-8-16(17)15(9-14)10-18/h3-9,11H,10,18H2,1-2H3
InChIKeyFPDZVBVQVDKIIV-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-fluoro-5-(3-fluoro-5-methylphenyl)phenyl]methanamine
CID 79690313
[5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine
CID 82822985
3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine
CID 82542632
ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
CID 169205433
[5-(2,6-dichlorophenyl)-2-fluorophenyl]methanamine
CID 134631446
1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine
CID 117285738
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855
[5-(2-chlorophenyl)-2-fluorophenyl]methanamine
CID 61029562
[2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 107879001
2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol
CID 82296845
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774
[5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine
CID 62549550

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine?
The IUPAC name of [2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine (CID 61033431) is [2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine is CC(C)c1ccc(-c2ccc(F)c(CN)c2)cc1.
What is the InChIKey of [2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine?
The InChIKey is FPDZVBVQVDKIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11(2)12-3-5-13(6-4-12)14-7-8-16(17)15(9-14)10-18/h3-9,11H,10,18H2,1-2H3.
What are the key properties of [2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine?
[2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine has a molecular weight of 243.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(4-propan-2-ylphenyl)phenyl]methanamine is sourced from PubChem (CID 61033431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).