(2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine

C18H22FN — CID 66259744

IUPAC(2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
SMILESCCC(C)(C)c1ccc(C(N)c2ccccc2F)cc1
InChIInChI=1S/C18H22FN/c1-4-18(2,3)14-11-9-13(10-12-14)17(20)15-7-5-6-8-16(15)19/h5-12,17H,4,20H2,1-3H3
InChIKeyAEDRQRNNTJPRAI-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.56
Rot. Bonds4

About (2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine

(2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine (PubChem CID 66259744) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
PubChem CID66259744
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name(2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
SMILESCCC(C)(C)c1ccc(C(N)c2ccccc2F)cc1
InChIInChI=1S/C18H22FN/c1-4-18(2,3)14-11-9-13(10-12-14)17(20)15-7-5-6-8-16(15)19/h5-12,17H,4,20H2,1-3H3
InChIKeyAEDRQRNNTJPRAI-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 66258008
(2,3-difluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66257837
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173
[4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine
CID 66258782
(4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477384
(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 103401213
1-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]propan-1-amine
CID 66258612
(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115533717
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288878
1-(2-fluorophenyl)propan-1-amine
CID 18439474
1-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-2,4-difluorobenzene
CID 66260161
(3S)-3-amino-3-(2-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171239204

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine?
The IUPAC name of (2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine (CID 66259744) is (2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine.
What is the SMILES notation for (2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine?
The canonical SMILES for (2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine is CCC(C)(C)c1ccc(C(N)c2ccccc2F)cc1.
What is the InChIKey of (2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine?
The InChIKey is AEDRQRNNTJPRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-18(2,3)14-11-9-13(10-12-14)17(20)15-7-5-6-8-16(15)19/h5-12,17H,4,20H2,1-3H3.
What are the key properties of (2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine?
(2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine has a molecular weight of 271.38 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine is sourced from PubChem (CID 66259744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).