(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine

C16H19FN2 — CID 105038455

IUPAC(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine
SMILESCC(C)(C)c1ccccc1C(N)c1ccncc1F
InChIInChI=1S/C16H19FN2/c1-16(2,3)13-7-5-4-6-11(13)15(18)12-8-9-19-10-14(12)17/h4-10,15H,18H2,1-3H3
InChIKeyMRKLUWFEWCBFKK-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.57
Rot. Bonds2

About (2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine

(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine (PubChem CID 105038455) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is (2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine
PubChem CID105038455
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine
SMILESCC(C)(C)c1ccccc1C(N)c1ccncc1F
InChIInChI=1S/C16H19FN2/c1-16(2,3)13-7-5-4-6-11(13)15(18)12-8-9-19-10-14(12)17/h4-10,15H,18H2,1-3H3
InChIKeyMRKLUWFEWCBFKK-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038410
(3-fluoro-4-pyridinyl)-(2-iodo-3-methylphenyl)methanamine
CID 114030256
1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105038344
(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine
CID 105182016
(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038108
(2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115852087
1-benzothiophen-3-yl-(3-fluoro-4-pyridinyl)methanamine
CID 105038149
3-tert-butyl-4-propan-2-ylpyridine
CID 59734411
(2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130189
(2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 115817782
(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038151
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 82822647

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine?
The IUPAC name of (2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine (CID 105038455) is (2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine.
What is the SMILES notation for (2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine?
The canonical SMILES for (2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine is CC(C)(C)c1ccccc1C(N)c1ccncc1F.
What is the InChIKey of (2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine?
The InChIKey is MRKLUWFEWCBFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-16(2,3)13-7-5-4-6-11(13)15(18)12-8-9-19-10-14(12)17/h4-10,15H,18H2,1-3H3.
What are the key properties of (2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine?
(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine has a molecular weight of 258.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine is sourced from PubChem (CID 105038455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).